(9Z,15E)-15-hydroxyoctadeca-9,15-dienoic acid

C18H32O3 — CID 131839811

IUPAC(9Z,15E)-15-hydroxyoctadeca-9,15-dienoic acid
SMILESCC/C=C(/O)CCCC/C=C\CCCCCCCC(=O)O
InChIInChI=1S/C18H32O3/c1-2-14-17(19)15-12-10-8-6-4-3-5-7-9-11-13-16-18(20)21/h4,6,14,19H,2-3,5,7-13,15-16H2,1H3,(H,20,21)/b6-4-,17-14+
InChIKeyMYPYRFSQQKRVDW-DXDNVFLHSA-N
MW296.45 g/mol
LogP5.77
Rot. Bonds14

About (9Z,15E)-15-hydroxyoctadeca-9,15-dienoic acid

(9Z,15E)-15-hydroxyoctadeca-9,15-dienoic acid (PubChem CID 131839811) has the molecular formula C18H32O3 and a molecular weight of 296.45 g/mol. Its IUPAC name is (9Z,15E)-15-hydroxyoctadeca-9,15-dienoic acid.

Molecular Properties

Compound Name(9Z,15E)-15-hydroxyoctadeca-9,15-dienoic acid
PubChem CID131839811
Molecular FormulaC18H32O3
Molecular Weight296.45 g/mol
Exact Mass296.24
IUPAC Name(9Z,15E)-15-hydroxyoctadeca-9,15-dienoic acid
SMILESCC/C=C(/O)CCCC/C=C\CCCCCCCC(=O)O
InChIInChI=1S/C18H32O3/c1-2-14-17(19)15-12-10-8-6-4-3-5-7-9-11-13-16-18(20)21/h4,6,14,19H,2-3,5,7-13,15-16H2,1H3,(H,20,21)/b6-4-,17-14+
InChIKeyMYPYRFSQQKRVDW-DXDNVFLHSA-N
XLogP5.77
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.45
LogP ≤ 55.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(3E,21E)-tricosa-3,21-dien-4-ol
CID 174283265
tetradec-6-enedioic acid
CID 151545129
(9Z,30Z)-nonatriaconta-9,30-dienedioic acid
CID 151731001
(9Z,33Z)-dotetraconta-9,33-dienedioic acid
CID 87211353
nonatriaconta-9,30-dienedioic acid
CID 151730999
icos-8-enoic acid
CID 53436342
(E)-docos-13-enoic acid
CID 87103770
octacos-17-enoic acid
CID 169276993
icos-14-enoic acid
CID 53394634
(E)-tetradec-9-enoic acid
CID 5312402
(E)-nonadec-14-enoic acid
CID 101410255
hexadec-9-enoic acid;(Z)-hexadec-9-enoic acid
CID 87100136

Frequently Asked Questions

What is the IUPAC name of (9Z,15E)-15-hydroxyoctadeca-9,15-dienoic acid?
The IUPAC name of (9Z,15E)-15-hydroxyoctadeca-9,15-dienoic acid (CID 131839811) is (9Z,15E)-15-hydroxyoctadeca-9,15-dienoic acid.
What is the SMILES notation for (9Z,15E)-15-hydroxyoctadeca-9,15-dienoic acid?
The canonical SMILES for (9Z,15E)-15-hydroxyoctadeca-9,15-dienoic acid is CC/C=C(/O)CCCC/C=C\CCCCCCCC(=O)O.
What is the InChIKey of (9Z,15E)-15-hydroxyoctadeca-9,15-dienoic acid?
The InChIKey is MYPYRFSQQKRVDW-DXDNVFLHSA-N. The full InChI is InChI=1S/C18H32O3/c1-2-14-17(19)15-12-10-8-6-4-3-5-7-9-11-13-16-18(20)21/h4,6,14,19H,2-3,5,7-13,15-16H2,1H3,(H,20,21)/b6-4-,17-14+.
What are the key properties of (9Z,15E)-15-hydroxyoctadeca-9,15-dienoic acid?
(9Z,15E)-15-hydroxyoctadeca-9,15-dienoic acid has a molecular weight of 296.45 g/mol, XLogP of 5.77, 14 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (9Z,15E)-15-hydroxyoctadeca-9,15-dienoic acid is sourced from PubChem (CID 131839811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).