(14R)-14-hydroxyoctadeca-10,12-diynoic acid

C18H28O3 — CID 2337328

IUPAC(14R)-14-hydroxyoctadeca-10,12-diynoic acid
SMILESCCCC[C@@H](O)C#CC#CCCCCCCCCC(=O)O
InChIInChI=1S/C18H28O3/c1-2-3-14-17(19)15-12-10-8-6-4-5-7-9-11-13-16-18(20)21/h17,19H,2-7,9,11,13-14,16H2,1H3,(H,20,21)/t17-/m1/s1
InChIKeyHDDXANWWQUFFQV-QGZVFWFLSA-N
MW292.42 g/mol
LogP3.75
Rot. Bonds11

About (14R)-14-hydroxyoctadeca-10,12-diynoic acid

(14R)-14-hydroxyoctadeca-10,12-diynoic acid (PubChem CID 2337328) has the molecular formula C18H28O3 and a molecular weight of 292.42 g/mol. Its IUPAC name is (14R)-14-hydroxyoctadeca-10,12-diynoic acid.

Molecular Properties

Compound Name(14R)-14-hydroxyoctadeca-10,12-diynoic acid
PubChem CID2337328
Molecular FormulaC18H28O3
Molecular Weight292.42 g/mol
Exact Mass292.20
IUPAC Name(14R)-14-hydroxyoctadeca-10,12-diynoic acid
SMILESCCCC[C@@H](O)C#CC#CCCCCCCCCC(=O)O
InChIInChI=1S/C18H28O3/c1-2-3-14-17(19)15-12-10-8-6-4-5-7-9-11-13-16-18(20)21/h17,19H,2-7,9,11,13-14,16H2,1H3,(H,20,21)/t17-/m1/s1
InChIKeyHDDXANWWQUFFQV-QGZVFWFLSA-N
XLogP3.75
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

octadeca-8,10-diynoic acid
CID 5312666
hexacosa-11,13-diynoic acid
CID 71349846
pentacosa-6,8-diynoic acid
CID 101012403
hentriaconta-12,14-diynoic acid
CID 134916943
heptadeca-6,8-diynoic acid
CID 86161368
nonadeca-10,12-diynoic acid
CID 89160943
16-hydroxyheptadeca-10,12,14-triynoic acid
CID 24740384
acetylene;pentacosa-10,12-diynoic acid
CID 157131898
(6S)-6-hydroxydec-4-ynoic acid
CID 162981215
docosa-4,6-diynoic acid
CID 155657987
tricosa-10,12-diynedioic acid
CID 3516470
7-hydroxydodec-5-ynoic acid
CID 169494808

Frequently Asked Questions

What is the IUPAC name of (14R)-14-hydroxyoctadeca-10,12-diynoic acid?
The IUPAC name of (14R)-14-hydroxyoctadeca-10,12-diynoic acid (CID 2337328) is (14R)-14-hydroxyoctadeca-10,12-diynoic acid.
What is the SMILES notation for (14R)-14-hydroxyoctadeca-10,12-diynoic acid?
The canonical SMILES for (14R)-14-hydroxyoctadeca-10,12-diynoic acid is CCCC[C@@H](O)C#CC#CCCCCCCCCC(=O)O.
What is the InChIKey of (14R)-14-hydroxyoctadeca-10,12-diynoic acid?
The InChIKey is HDDXANWWQUFFQV-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H28O3/c1-2-3-14-17(19)15-12-10-8-6-4-5-7-9-11-13-16-18(20)21/h17,19H,2-7,9,11,13-14,16H2,1H3,(H,20,21)/t17-/m1/s1.
What are the key properties of (14R)-14-hydroxyoctadeca-10,12-diynoic acid?
(14R)-14-hydroxyoctadeca-10,12-diynoic acid has a molecular weight of 292.42 g/mol, XLogP of 3.75, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (14R)-14-hydroxyoctadeca-10,12-diynoic acid is sourced from PubChem (CID 2337328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).