(Z,14S)-14-methylhexadec-9-enoic acid

C17H32O2 — CID 163004277

IUPAC(Z,14S)-14-methylhexadec-9-enoic acid
SMILESCC[C@H](C)CCC/C=C\CCCCCCCC(=O)O
InChIInChI=1S/C17H32O2/c1-3-16(2)14-12-10-8-6-4-5-7-9-11-13-15-17(18)19/h6,8,16H,3-5,7,9-15H2,1-2H3,(H,18,19)/b8-6-/t16-/m0/s1
InChIKeyJSOOUDKFWVPPEF-IOBAAEILSA-N
MW268.44 g/mol
LogP5.57
Rot. Bonds13

About (Z,14S)-14-methylhexadec-9-enoic acid

(Z,14S)-14-methylhexadec-9-enoic acid (PubChem CID 163004277) has the molecular formula C17H32O2 and a molecular weight of 268.44 g/mol. Its IUPAC name is (Z,14S)-14-methylhexadec-9-enoic acid.

Molecular Properties

Compound Name(Z,14S)-14-methylhexadec-9-enoic acid
PubChem CID163004277
Molecular FormulaC17H32O2
Molecular Weight268.44 g/mol
Exact Mass268.24
IUPAC Name(Z,14S)-14-methylhexadec-9-enoic acid
SMILESCC[C@H](C)CCC/C=C\CCCCCCCC(=O)O
InChIInChI=1S/C17H32O2/c1-3-16(2)14-12-10-8-6-4-5-7-9-11-13-15-17(18)19/h6,8,16H,3-5,7,9-15H2,1-2H3,(H,18,19)/b8-6-/t16-/m0/s1
InChIKeyJSOOUDKFWVPPEF-IOBAAEILSA-N
XLogP5.57
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.44
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

(16S)-16-methyloctadeca-5,9-dienoic acid
CID 162859481
(5Z,9Z,12Z,15Z,18Z,21Z,34S)-34-methylhexatriaconta-5,9,12,15,18,21-hexaenoic acid
CID 52921771
(18R)-18-methylicosanoic acid
CID 71587706
(Z)-19-methyltricos-9-enoic acid
CID 170905210
(E)-5-methyloctadec-9-enoic acid
CID 129219195
(E,7R,8S,18S)-7-hydroxy-8,18-dimethylicos-9-enoic acid
CID 162859448
methyl (E)-14-methylhexadec-9-enoate
CID 91695396
10-methyloctadec-6-enoic acid
CID 72542931
(Z)-9-methylheptadec-6-enoic acid
CID 52921788
(Z)-16-methylheptadec-8-enoic acid
CID 10731639
24-methylpentacos-9-enoic acid
CID 57190789
11-hydroxydodec-6-enoic acid
CID 123616769

Frequently Asked Questions

What is the IUPAC name of (Z,14S)-14-methylhexadec-9-enoic acid?
The IUPAC name of (Z,14S)-14-methylhexadec-9-enoic acid (CID 163004277) is (Z,14S)-14-methylhexadec-9-enoic acid.
What is the SMILES notation for (Z,14S)-14-methylhexadec-9-enoic acid?
The canonical SMILES for (Z,14S)-14-methylhexadec-9-enoic acid is CC[C@H](C)CCC/C=C\CCCCCCCC(=O)O.
What is the InChIKey of (Z,14S)-14-methylhexadec-9-enoic acid?
The InChIKey is JSOOUDKFWVPPEF-IOBAAEILSA-N. The full InChI is InChI=1S/C17H32O2/c1-3-16(2)14-12-10-8-6-4-5-7-9-11-13-15-17(18)19/h6,8,16H,3-5,7,9-15H2,1-2H3,(H,18,19)/b8-6-/t16-/m0/s1.
What are the key properties of (Z,14S)-14-methylhexadec-9-enoic acid?
(Z,14S)-14-methylhexadec-9-enoic acid has a molecular weight of 268.44 g/mol, XLogP of 5.57, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,14S)-14-methylhexadec-9-enoic acid is sourced from PubChem (CID 163004277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).