1.0
2010-04-08 22:12:22 UTC
2019-11-26 03:13:03 UTC
FDB016328
5-Hexyldihydro-4-methyl-2(3H)-furanone
Isolated from orange juice. 5-Hexyldihydro-4-methyl-2(3H)-furanone is found in citrus.
2(3H)-Furanone, 5-hexyldihydro-4-methyl-
2(3H)-Furanone, 5-hexyldihydro-4-methyl-, (4R-cis)-
2(3H)-Furanone, 5-hexyldihydro-4-methyl-, trans-(.+-.)-
3-Methyl-4-decanolide
5-Hexyl-4-methyldihydro-2(3H)-furanone
5-Hexyldihydro-4-methyl-(4R-cis)-2(3H)-furanone
5-Hexyldihydro-4-methyl-trans-(.+-.)-2(3H)-furanone
5-Hexyldihydro-4-methylfuran-2(3H)-one
Cis-4-hydroxy-3-methyldecanoic Acid Lactone
trans-4-Hydroxy-3-methyldecanoic acid lactone
C11H20O2
184.2753
184.146329884
5-hexyl-4-methyloxolan-2-one
trans-3-methyl-4-decanolide
67663-01-8
CCCCCCC1OC(=O)CC1C
InChI=1S/C11H20O2/c1-3-4-5-6-7-10-9(2)8-11(12)13-10/h9-10H,3-8H2,1-2H3
XNRLAEXLQFIKEY-UHFFFAOYSA-N
logp
3.61
logs
-3.45
solubility
6.61e-02 g/l
logp
3.23
pka_strongest_basic
-7
iupac
5-hexyl-4-methyloxolan-2-one
average_mass
184.2753
mono_mass
184.146329884
smiles
CCCCCCC1OC(=O)CC1C
formula
C11H20O2
inchi
InChI=1S/C11H20O2/c1-3-4-5-6-7-10-9(2)8-11(12)13-10/h9-10H,3-8H2,1-2H3
inchikey
XNRLAEXLQFIKEY-UHFFFAOYSA-N
polar_surface_area
26.3
refractivity
52.13
polarizability
22.27
rotatable_bond_count
5
acceptor_count
1
donor_count
0
physiological_charge
0
formal_charge
0
Specdb::CMs
23067
Specdb::CMs
172125
Specdb::MsMs
80217
Specdb::MsMs
80218
Specdb::MsMs
80219
Specdb::MsMs
141030
Specdb::MsMs
141031
Specdb::MsMs
141032
Specdb::MsMs
3041503
Specdb::MsMs
3041504
Specdb::MsMs
3041505
Specdb::MsMs
3102764
Specdb::MsMs
3102765
Specdb::MsMs
3102766
HMDB37309
#<Reference:0x000055567635e4a0>
Citrus
Unknown
generic
floral