15-hydroxy-2,14-dimethyl-8-oxo-2,14-diphenylpentadecanoic acid;methane

C30H44O4 — CID 161045446

IUPAC15-hydroxy-2,14-dimethyl-8-oxo-2,14-diphenylpentadecanoic acid;methane
SMILESC.CC(CO)(CCCCCC(=O)CCCCCC(C)(C(=O)O)c1ccccc1)c1ccccc1
InChIInChI=1S/C29H40O4.CH4/c1-28(23-30,24-15-7-3-8-16-24)21-13-5-11-19-26(31)20-12-6-14-22-29(2,27(32)33)25-17-9-4-10-18-25;/h3-4,7-10,15-18,30H,5-6,11-14,19-23H2,1-2H3,(H,32,33);1H4
InChIKeyUBLCGZUXQIHBFU-UHFFFAOYSA-N
MW468.68 g/mol
LogP7.09
Rot. Bonds16

About 15-hydroxy-2,14-dimethyl-8-oxo-2,14-diphenylpentadecanoic acid;methane

15-hydroxy-2,14-dimethyl-8-oxo-2,14-diphenylpentadecanoic acid;methane (PubChem CID 161045446) has the molecular formula C30H44O4 and a molecular weight of 468.68 g/mol. Its IUPAC name is 15-hydroxy-2,14-dimethyl-8-oxo-2,14-diphenylpentadecanoic acid;methane.

Molecular Properties

Compound Name15-hydroxy-2,14-dimethyl-8-oxo-2,14-diphenylpentadecanoic acid;methane
PubChem CID161045446
Molecular FormulaC30H44O4
Molecular Weight468.68 g/mol
Exact Mass468.32
IUPAC Name15-hydroxy-2,14-dimethyl-8-oxo-2,14-diphenylpentadecanoic acid;methane
SMILESC.CC(CO)(CCCCCC(=O)CCCCCC(C)(C(=O)O)c1ccccc1)c1ccccc1
InChIInChI=1S/C29H40O4.CH4/c1-28(23-30,24-15-7-3-8-16-24)21-13-5-11-19-26(31)20-12-6-14-22-29(2,27(32)33)25-17-9-4-10-18-25;/h3-4,7-10,15-18,30H,5-6,11-14,19-23H2,1-2H3,(H,32,33);1H4
InChIKeyUBLCGZUXQIHBFU-UHFFFAOYSA-N
XLogP7.09
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.68
LogP ≤ 57.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 15-hydroxy-2,14-dimethyl-8-oxo-2,14-diphenylpentadecanoic acid;methane?
The IUPAC name of 15-hydroxy-2,14-dimethyl-8-oxo-2,14-diphenylpentadecanoic acid;methane (CID 161045446) is 15-hydroxy-2,14-dimethyl-8-oxo-2,14-diphenylpentadecanoic acid;methane.
What is the SMILES notation for 15-hydroxy-2,14-dimethyl-8-oxo-2,14-diphenylpentadecanoic acid;methane?
The canonical SMILES for 15-hydroxy-2,14-dimethyl-8-oxo-2,14-diphenylpentadecanoic acid;methane is C.CC(CO)(CCCCCC(=O)CCCCCC(C)(C(=O)O)c1ccccc1)c1ccccc1.
What is the InChIKey of 15-hydroxy-2,14-dimethyl-8-oxo-2,14-diphenylpentadecanoic acid;methane?
The InChIKey is UBLCGZUXQIHBFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H40O4.CH4/c1-28(23-30,24-15-7-3-8-16-24)21-13-5-11-19-26(31)20-12-6-14-22-29(2,27(32)33)25-17-9-4-10-18-25;/h3-4,7-10,15-18,30H,5-6,11-14,19-23H2,1-2H3,(H,32,33);1H4.
What are the key properties of 15-hydroxy-2,14-dimethyl-8-oxo-2,14-diphenylpentadecanoic acid;methane?
15-hydroxy-2,14-dimethyl-8-oxo-2,14-diphenylpentadecanoic acid;methane has a molecular weight of 468.68 g/mol, XLogP of 7.09, 16 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 15-hydroxy-2,14-dimethyl-8-oxo-2,14-diphenylpentadecanoic acid;methane is sourced from PubChem (CID 161045446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).