1.0
2011-09-21 00:11:39 UTC
2015-10-09 22:27:45 UTC
FDB022293
Tetradecanedioic acid
Tetradecanedioic acid is a C14 dicarboxylic acid. [HMDB]
1,12-Dodecanedicarboxylate
1,12-Dodecanedicarboxylic acid
1,14-Tetradecanedioate
1,14-Tetradecanedioic acid
Dodecamethylenedicarboxylate
Dodecamethylenedicarboxylic acid
NSC 9504
Tetradecane-1,14-dioate
Tetradecane-1,14-dioic acid
Tetradecanedicarboxylate
Tetradecanedicarboxylic acid
Tetradecanedioate
Tetradecanedioic acid
C14H26O4
258.3538
258.18310932
tetradecanedioic acid
tetradecanedioic acid
821-38-5
OC(=O)CCCCCCCCCCCCC(O)=O
InChI=1S/C14H26O4/c15-13(16)11-9-7-5-3-1-2-4-6-8-10-12-14(17)18/h1-12H2,(H,15,16)(H,17,18)
HQHCYKULIHKCEB-UHFFFAOYSA-N
belongs to the class of organic compounds known as long-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 13 and 21 carbon atoms.
Long-chain fatty acids
Organic compounds
Lipids and lipid-like molecules
Fatty Acyls
Fatty acids and conjugates
Aliphatic acyclic compounds
Carbonyl compounds
Carboxylic acids
Dicarboxylic acids and derivatives
Hydrocarbon derivatives
Organic oxides
Aliphatic acyclic compound
Carbonyl group
Carboxylic acid
Carboxylic acid derivative
Dicarboxylic acid or derivatives
Hydrocarbon derivative
Long-chain fatty acid
Organic oxide
Organic oxygen compound
Organooxygen compound
Dicarboxylic acids
alpha,omega-dicarboxylic acid
Solid
logp
3.63
logs
-3.85
solubility
3.61e-02 g/l
logp
4.05
pka_strongest_acidic
4.65
iupac
tetradecanedioic acid
average_mass
258.3538
mono_mass
258.18310932
smiles
OC(=O)CCCCCCCCCCCCC(O)=O
formula
C14H26O4
inchi
InChI=1S/C14H26O4/c15-13(16)11-9-7-5-3-1-2-4-6-8-10-12-14(17)18/h1-12H2,(H,15,16)(H,17,18)
inchikey
HQHCYKULIHKCEB-UHFFFAOYSA-N
polar_surface_area
74.6
refractivity
69.55
polarizability
31.11
rotatable_bond_count
13
acceptor_count
4
donor_count
2
physiological_charge
-2
formal_charge
0
Specdb::NmrTwoD
1519
Specdb::NmrOneD
1577
Specdb::NmrOneD
166535
Specdb::NmrOneD
166679
Specdb::CMs
1908
Specdb::CMs
22578
Specdb::CMs
31252
Specdb::CMs
37816
Specdb::CMs
133391
Specdb::CMs
141125
Specdb::CMs
1080704
Specdb::CMs
1080706
Specdb::CMs
1080708
Specdb::MsMs
1229
Specdb::MsMs
1230
Specdb::MsMs
1231
Specdb::MsMs
316141
Specdb::MsMs
316142
Specdb::MsMs
316143
Specdb::MsMs
362314
Specdb::MsMs
362315
Specdb::MsMs
362316
Specdb::MsMs
2714848
Specdb::MsMs
2714849
Specdb::MsMs
2714850
Specdb::MsMs
2967438
Specdb::MsMs
2967439
Specdb::MsMs
2967440
HMDB00872
#<Reference:0x000055567451f250>
#<Reference:0x000055567451f048>
Anatidae
Type 1
specific
Anatidae
8830
Beefalo
Type 1
specific
Bos taurus X Bison bison
297284
Bison
Type 1
specific
Bison bison
9901
Buffalo
Type 1
specific
Bubalus bubalis
89462
Cattle (Beef, Veal)
Type 1
specific
Bos taurus
9913
Chicken
Type 1
specific
Gallus gallus
9031
Columbidae (Dove, Pigeon)
Type 1
specific
Columbidae
8930
Deer
Type 1
specific
Cervidae
9850
Domestic goat
Type 1
specific
Capra aegagrus hircus
9925
Domestic pig
Type 1
specific
Sus scrofa domestica
9825
Elk
Type 1
specific
Cervus canadensis
1574408
Emu
Type 1
specific
Dromaius novaehollandiae
8790
European rabbit
Type 1
specific
Oryctolagus
9984
Greylag goose
Type 1
specific
Anser anser
8843
Guinea hen
Type 1
specific
Numida meleagris
8996
Horse
Type 1
specific
Equus caballus
9796
Mallard duck
Type 1
specific
Anas platyrhynchos
8839
Mountain hare
Type 1
specific
Lepus timidus
62621
Mule deer
Type 1
specific
Odocoileus
9871
Ostrich
Type 1
specific
Struthio camelus
8801
Pheasant
Type 1
specific
Phasianus colchicus
9054
Quail
Type 1
specific
Phasianidae
9005
Rabbit
Type 1
specific
Leporidae
9979
Rock ptarmigan
Type 1
specific
Lagopus muta
64668
Sheep (Mutton, Lamb)
Type 1
specific
Ovis aries
9940
Squab
Type 1
specific
Columba
8931
Turkey
Type 1
specific
Meleagris gallopavo
9103
Velvet duck
Type 1
specific
Melanitta fusca
371864
Wild boar
Type 1
specific
Sus scrofa
9823