(10E,14Z)-12-hydroxyoctadeca-10,14-dienoic acid

C18H32O3 — CID 135368928

IUPAC(10E,14Z)-12-hydroxyoctadeca-10,14-dienoic acid
SMILESCCC/C=C\CC(O)/C=C/CCCCCCCCC(=O)O
InChIInChI=1S/C18H32O3/c1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21/h4,11-12,15,17,19H,2-3,5-10,13-14,16H2,1H3,(H,20,21)/b11-4-,15-12+
InChIKeyNKIAOSTZISNIGL-RSKDGHDKSA-N
MW296.45 g/mol
LogP4.86
Rot. Bonds14

About (10E,14Z)-12-hydroxyoctadeca-10,14-dienoic acid

(10E,14Z)-12-hydroxyoctadeca-10,14-dienoic acid (PubChem CID 135368928) has the molecular formula C18H32O3 and a molecular weight of 296.45 g/mol. Its IUPAC name is (10E,14Z)-12-hydroxyoctadeca-10,14-dienoic acid.

Molecular Properties

Compound Name(10E,14Z)-12-hydroxyoctadeca-10,14-dienoic acid
PubChem CID135368928
Molecular FormulaC18H32O3
Molecular Weight296.45 g/mol
Exact Mass296.24
IUPAC Name(10E,14Z)-12-hydroxyoctadeca-10,14-dienoic acid
SMILESCCC/C=C\CC(O)/C=C/CCCCCCCCC(=O)O
InChIInChI=1S/C18H32O3/c1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21/h4,11-12,15,17,19H,2-3,5-10,13-14,16H2,1H3,(H,20,21)/b11-4-,15-12+
InChIKeyNKIAOSTZISNIGL-RSKDGHDKSA-N
XLogP4.86
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(E)-undec-7-enoic acid
CID 5312729
(E)-tetracos-20-enoic acid
CID 171117693
(6E,9R,10E,12E)-9-hydroxyoctadeca-6,10,12-trienoic acid
CID 163195148
(E,11R)-11-hydroxytridec-9-enoic acid
CID 162884885
(11Z,14Z)-octadeca-11,14-dienoic acid
CID 5312450
henicosa-11,14,17-trienoic acid
CID 169277280
(9Z)-hexadeca-9,12-dienoic acid
CID 87441116
(8E,11E,14E)-octadeca-8,11,14-trienoic acid
CID 6507258
11-hydroxyheptadec-13-enoic acid
CID 169277331
(E,13R)-13-hydroxyoctadec-11-enoic acid
CID 56935869
(Z,16R)-16-hydroxyhenicos-14-enoic acid
CID 11439238
(E,12R)-12-hydroxyheptadec-10-enoic acid
CID 129382398

Frequently Asked Questions

What is the IUPAC name of (10E,14Z)-12-hydroxyoctadeca-10,14-dienoic acid?
The IUPAC name of (10E,14Z)-12-hydroxyoctadeca-10,14-dienoic acid (CID 135368928) is (10E,14Z)-12-hydroxyoctadeca-10,14-dienoic acid.
What is the SMILES notation for (10E,14Z)-12-hydroxyoctadeca-10,14-dienoic acid?
The canonical SMILES for (10E,14Z)-12-hydroxyoctadeca-10,14-dienoic acid is CCC/C=C\CC(O)/C=C/CCCCCCCCC(=O)O.
What is the InChIKey of (10E,14Z)-12-hydroxyoctadeca-10,14-dienoic acid?
The InChIKey is NKIAOSTZISNIGL-RSKDGHDKSA-N. The full InChI is InChI=1S/C18H32O3/c1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21/h4,11-12,15,17,19H,2-3,5-10,13-14,16H2,1H3,(H,20,21)/b11-4-,15-12+.
What are the key properties of (10E,14Z)-12-hydroxyoctadeca-10,14-dienoic acid?
(10E,14Z)-12-hydroxyoctadeca-10,14-dienoic acid has a molecular weight of 296.45 g/mol, XLogP of 4.86, 14 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (10E,14Z)-12-hydroxyoctadeca-10,14-dienoic acid is sourced from PubChem (CID 135368928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).