10-methyl-15-phenylpentadec-8-enoic acid

C22H34O2 — CID 70475145

IUPAC10-methyl-15-phenylpentadec-8-enoic acid
SMILESCC(C=CCCCCCCC(=O)O)CCCCCc1ccccc1
InChIInChI=1S/C22H34O2/c1-20(14-8-4-2-3-5-13-19-22(23)24)15-9-6-10-16-21-17-11-7-12-18-21/h7-8,11-12,14,17-18,20H,2-6,9-10,13,15-16,19H2,1H3,(H,23,24)
InChIKeyYVVUCEUVNRWSRY-UHFFFAOYSA-N
MW330.51 g/mol
LogP6.41
Rot. Bonds14

About 10-methyl-15-phenylpentadec-8-enoic acid

10-methyl-15-phenylpentadec-8-enoic acid (PubChem CID 70475145) has the molecular formula C22H34O2 and a molecular weight of 330.51 g/mol. Its IUPAC name is 10-methyl-15-phenylpentadec-8-enoic acid.

Molecular Properties

Compound Name10-methyl-15-phenylpentadec-8-enoic acid
PubChem CID70475145
Molecular FormulaC22H34O2
Molecular Weight330.51 g/mol
Exact Mass330.26
IUPAC Name10-methyl-15-phenylpentadec-8-enoic acid
SMILESCC(C=CCCCCCCC(=O)O)CCCCCc1ccccc1
InChIInChI=1S/C22H34O2/c1-20(14-8-4-2-3-5-13-19-22(23)24)15-9-6-10-16-21-17-11-7-12-18-21/h7-8,11-12,14,17-18,20H,2-6,9-10,13,15-16,19H2,1H3,(H,23,24)
InChIKeyYVVUCEUVNRWSRY-UHFFFAOYSA-N
XLogP6.41
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.51
LogP ≤ 56.41
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

9-methylnonadec-10-enoic acid
CID 57288184
(7E,11E)-6,10-dimethyloctadeca-7,11-dienedioic acid
CID 171377638
15-phenylpentadecanoic acid
CID 2737151
7-(2-phenylethyl)hexadec-9-enoic acid
CID 162961291
(Z)-2-hydroxy-18-phenyloctadec-9-enoic acid
CID 67655950
19-[3-(18-carboxyoctadeca-7,10-dienyl)phenyl]nonadeca-9,12-dienoic acid
CID 175906228
sodium;hydride;15-phenylpentadecanoic acid;selane
CID 174846933
sodium;hydride;12-phenyldodecanoic acid;selane
CID 174847736
11-methyldodec-9-enoic acid
CID 76621229
6-methyltetracos-4-enoic acid
CID 173102051
2-ethyl-2-(hydroxymethyl)propane-1,3-diol;18-phenyloctadecanoic acid
CID 68846605
2-methyl-9-phenylnonan-3-one
CID 58366233

Frequently Asked Questions

What is the IUPAC name of 10-methyl-15-phenylpentadec-8-enoic acid?
The IUPAC name of 10-methyl-15-phenylpentadec-8-enoic acid (CID 70475145) is 10-methyl-15-phenylpentadec-8-enoic acid.
What is the SMILES notation for 10-methyl-15-phenylpentadec-8-enoic acid?
The canonical SMILES for 10-methyl-15-phenylpentadec-8-enoic acid is CC(C=CCCCCCCC(=O)O)CCCCCc1ccccc1.
What is the InChIKey of 10-methyl-15-phenylpentadec-8-enoic acid?
The InChIKey is YVVUCEUVNRWSRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34O2/c1-20(14-8-4-2-3-5-13-19-22(23)24)15-9-6-10-16-21-17-11-7-12-18-21/h7-8,11-12,14,17-18,20H,2-6,9-10,13,15-16,19H2,1H3,(H,23,24).
What are the key properties of 10-methyl-15-phenylpentadec-8-enoic acid?
10-methyl-15-phenylpentadec-8-enoic acid has a molecular weight of 330.51 g/mol, XLogP of 6.41, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methyl-15-phenylpentadec-8-enoic acid is sourced from PubChem (CID 70475145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).