1.0
2011-09-21 00:08:28 UTC
2019-11-26 03:21:01 UTC
FDB022097
5-Dodecenoic acid
5-Dodecenoic acid is an intermediate of unsaturated fatty acid oxidation. An increase of 5-dodecenoic acid in plasma is associated with acyl-CoA dehydrogenase deficiency disorders. (PMID 7586519) [HMDB]
(Z)-5-Dodecenoate
(Z)-5-Dodecenoic acid
5-Dodecenoate
5-Dodecenoic acid
cis-5-Dodecanoate
cis-5-Dodecenoate
cis-5-Dodecenoic acid
C12H22O2
198.3019
198.161979948
dodec-5-enoic acid
5-dodecenoic acid
2430-94-6
CCCCCCC=CCCCC(O)=O
InChI=1S/C12H22O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h7-8H,2-6,9-11H2,1H3,(H,13,14)
IJBFSOLHRKELLR-UHFFFAOYSA-N
Solid
logp
4.76
logs
-4.14
solubility
1.45e-02 g/l
logp
4.12
pka_strongest_acidic
4.89
iupac
dodec-5-enoic acid
average_mass
198.3019
mono_mass
198.161979948
smiles
CCCCCCC=CCCCC(O)=O
formula
C12H22O2
inchi
InChI=1S/C12H22O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h7-8H,2-6,9-11H2,1H3,(H,13,14)
inchikey
IJBFSOLHRKELLR-UHFFFAOYSA-N
polar_surface_area
37.3
refractivity
59.8
polarizability
24.9
rotatable_bond_count
9
acceptor_count
2
donor_count
1
physiological_charge
-1
formal_charge
0
Specdb::MsMs
3638958
Specdb::MsMs
3638959
Specdb::MsMs
3638960
Specdb::MsMs
3638961
Specdb::MsMs
3638962
Specdb::MsMs
3638963
Specdb::CMs
1089685
HMDB00529
#<Reference:0x0000555675df6f08>
Milk (Cow)
Type 2
specific