9-methylnonadec-10-enoic acid

C20H38O2 — CID 57288184

IUPAC9-methylnonadec-10-enoic acid
SMILESCCCCCCCCC=CC(C)CCCCCCCC(=O)O
InChIInChI=1S/C20H38O2/c1-3-4-5-6-7-8-10-13-16-19(2)17-14-11-9-12-15-18-20(21)22/h13,16,19H,3-12,14-15,17-18H2,1-2H3,(H,21,22)
InChIKeyOQDATTIPXPHXHM-UHFFFAOYSA-N
MW310.52 g/mol
LogP6.74
Rot. Bonds16

About 9-methylnonadec-10-enoic acid

9-methylnonadec-10-enoic acid (PubChem CID 57288184) has the molecular formula C20H38O2 and a molecular weight of 310.52 g/mol. Its IUPAC name is 9-methylnonadec-10-enoic acid.

Molecular Properties

Compound Name9-methylnonadec-10-enoic acid
PubChem CID57288184
Molecular FormulaC20H38O2
Molecular Weight310.52 g/mol
Exact Mass310.29
IUPAC Name9-methylnonadec-10-enoic acid
SMILESCCCCCCCCC=CC(C)CCCCCCCC(=O)O
InChIInChI=1S/C20H38O2/c1-3-4-5-6-7-8-10-13-16-19(2)17-14-11-9-12-15-18-20(21)22/h13,16,19H,3-12,14-15,17-18H2,1-2H3,(H,21,22)
InChIKeyOQDATTIPXPHXHM-UHFFFAOYSA-N
XLogP6.74
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.52
LogP ≤ 56.74
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

6-methyltetracos-4-enoic acid
CID 173102051
(7E,11E)-6,10-dimethyloctadeca-7,11-dienedioic acid
CID 171377638
(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
(E,11S)-11-methyltricos-9-ene
CID 163215390
(E)-10-methylheptadec-8-ene
CID 10923034
12-methyl-2-tetradecylicos-13-enoic acid
CID 174214797
(E)-8-chlorooctadec-9-enoic acid
CID 87265265
(E)-15-chlorodocos-13-enoic acid
CID 141253308
(10S,11S)-10,11-dihydroxyoctadeca-8,12-dienoic acid
CID 162998890
(E)-10,11-dihydroxyoctadec-12-enoic acid
CID 44633868

Frequently Asked Questions

What is the IUPAC name of 9-methylnonadec-10-enoic acid?
The IUPAC name of 9-methylnonadec-10-enoic acid (CID 57288184) is 9-methylnonadec-10-enoic acid.
What is the SMILES notation for 9-methylnonadec-10-enoic acid?
The canonical SMILES for 9-methylnonadec-10-enoic acid is CCCCCCCCC=CC(C)CCCCCCCC(=O)O.
What is the InChIKey of 9-methylnonadec-10-enoic acid?
The InChIKey is OQDATTIPXPHXHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38O2/c1-3-4-5-6-7-8-10-13-16-19(2)17-14-11-9-12-15-18-20(21)22/h13,16,19H,3-12,14-15,17-18H2,1-2H3,(H,21,22).
What are the key properties of 9-methylnonadec-10-enoic acid?
9-methylnonadec-10-enoic acid has a molecular weight of 310.52 g/mol, XLogP of 6.74, 16 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methylnonadec-10-enoic acid is sourced from PubChem (CID 57288184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).