10-methyloctadec-6-enoic acid

C19H36O2 — CID 72542931

IUPAC10-methyloctadec-6-enoic acid
SMILESCCCCCCCCC(C)CCC=CCCCCC(=O)O
InChIInChI=1S/C19H36O2/c1-3-4-5-6-9-12-15-18(2)16-13-10-7-8-11-14-17-19(20)21/h7,10,18H,3-6,8-9,11-17H2,1-2H3,(H,20,21)
InChIKeyRFEQIJSRVDCQSG-UHFFFAOYSA-N
MW296.50 g/mol
LogP6.35
Rot. Bonds15

About 10-methyloctadec-6-enoic acid

10-methyloctadec-6-enoic acid (PubChem CID 72542931) has the molecular formula C19H36O2 and a molecular weight of 296.50 g/mol. Its IUPAC name is 10-methyloctadec-6-enoic acid.

Molecular Properties

Compound Name10-methyloctadec-6-enoic acid
PubChem CID72542931
Molecular FormulaC19H36O2
Molecular Weight296.50 g/mol
Exact Mass296.27
IUPAC Name10-methyloctadec-6-enoic acid
SMILESCCCCCCCCC(C)CCC=CCCCCC(=O)O
InChIInChI=1S/C19H36O2/c1-3-4-5-6-9-12-15-18(2)16-13-10-7-8-11-14-17-19(20)21/h7,10,18H,3-6,8-9,11-17H2,1-2H3,(H,20,21)
InChIKeyRFEQIJSRVDCQSG-UHFFFAOYSA-N
XLogP6.35
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.50
LogP ≤ 56.35
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

(Z)-19-methyltricos-9-enoic acid
CID 170905210
(E)-5-methyloctadec-9-enoic acid
CID 129219195
(Z)-9-methylheptadec-6-enoic acid
CID 52921788
(11S)-11-methylhexadecanoic acid
CID 162980930
12-methylicosanoic acid
CID 15736271
9-methylpentadecanoic acid
CID 22251894
8-methylhexadecanoic acid
CID 5312298
11-methylnonadecanoic acid
CID 52921772
7-methyloctadecanoic acid;8-methyloctadecanoic acid
CID 157148422
(6S)-6-methyltetradecanoic acid
CID 95858653
(10R)-10-methylheptadecanoic acid
CID 124527302
9-methylhexadecanoic acid
CID 5312299

Frequently Asked Questions

What is the IUPAC name of 10-methyloctadec-6-enoic acid?
The IUPAC name of 10-methyloctadec-6-enoic acid (CID 72542931) is 10-methyloctadec-6-enoic acid.
What is the SMILES notation for 10-methyloctadec-6-enoic acid?
The canonical SMILES for 10-methyloctadec-6-enoic acid is CCCCCCCCC(C)CCC=CCCCCC(=O)O.
What is the InChIKey of 10-methyloctadec-6-enoic acid?
The InChIKey is RFEQIJSRVDCQSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36O2/c1-3-4-5-6-9-12-15-18(2)16-13-10-7-8-11-14-17-19(20)21/h7,10,18H,3-6,8-9,11-17H2,1-2H3,(H,20,21).
What are the key properties of 10-methyloctadec-6-enoic acid?
10-methyloctadec-6-enoic acid has a molecular weight of 296.50 g/mol, XLogP of 6.35, 15 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methyloctadec-6-enoic acid is sourced from PubChem (CID 72542931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).