3,3-dimethyl-15-phenylpentadecanoic acid

C23H38O2 — CID 2737130

IUPAC3,3-dimethyl-15-phenylpentadecanoic acid
SMILESCC(C)(CCCCCCCCCCCCc1ccccc1)CC(=O)O
InChIInChI=1S/C23H38O2/c1-23(2,20-22(24)25)19-15-10-8-6-4-3-5-7-9-12-16-21-17-13-11-14-18-21/h11,13-14,17-18H,3-10,12,15-16,19-20H2,1-2H3,(H,24,25)
InChIKeyIIXIPDOWHXYAKB-UHFFFAOYSA-N
MW346.56 g/mol
LogP7.02
Rot. Bonds15

About 3,3-dimethyl-15-phenylpentadecanoic acid

3,3-dimethyl-15-phenylpentadecanoic acid (PubChem CID 2737130) has the molecular formula C23H38O2 and a molecular weight of 346.56 g/mol. Its IUPAC name is 3,3-dimethyl-15-phenylpentadecanoic acid.

Molecular Properties

Compound Name3,3-dimethyl-15-phenylpentadecanoic acid
PubChem CID2737130
Molecular FormulaC23H38O2
Molecular Weight346.56 g/mol
Exact Mass346.29
IUPAC Name3,3-dimethyl-15-phenylpentadecanoic acid
SMILESCC(C)(CCCCCCCCCCCCc1ccccc1)CC(=O)O
InChIInChI=1S/C23H38O2/c1-23(2,20-22(24)25)19-15-10-8-6-4-3-5-7-9-12-16-21-17-13-11-14-18-21/h11,13-14,17-18H,3-10,12,15-16,19-20H2,1-2H3,(H,24,25)
InChIKeyIIXIPDOWHXYAKB-UHFFFAOYSA-N
XLogP7.02
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.56
LogP ≤ 57.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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7-[4-[4-[1-(carboxymethyl)cyclopropyl]butyl]phenyl]-3,3-dimethylheptanoic acid
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(3R)-9-hydroxy-3-methyl-3,14-diphenyltetradecanoic acid
CID 130256585
2-methyl-6-phenylhexan-2-ol
CID 12716611
2,2-difluoro-14-phenyltetradecanoic acid
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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-15-phenylpentadecanoic acid?
The IUPAC name of 3,3-dimethyl-15-phenylpentadecanoic acid (CID 2737130) is 3,3-dimethyl-15-phenylpentadecanoic acid.
What is the SMILES notation for 3,3-dimethyl-15-phenylpentadecanoic acid?
The canonical SMILES for 3,3-dimethyl-15-phenylpentadecanoic acid is CC(C)(CCCCCCCCCCCCc1ccccc1)CC(=O)O.
What is the InChIKey of 3,3-dimethyl-15-phenylpentadecanoic acid?
The InChIKey is IIXIPDOWHXYAKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H38O2/c1-23(2,20-22(24)25)19-15-10-8-6-4-3-5-7-9-12-16-21-17-13-11-14-18-21/h11,13-14,17-18H,3-10,12,15-16,19-20H2,1-2H3,(H,24,25).
What are the key properties of 3,3-dimethyl-15-phenylpentadecanoic acid?
3,3-dimethyl-15-phenylpentadecanoic acid has a molecular weight of 346.56 g/mol, XLogP of 7.02, 15 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-15-phenylpentadecanoic acid is sourced from PubChem (CID 2737130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).