14-hydroxy-14-methylpentadecanoic acid

C16H32O3 — CID 548142

IUPAC14-hydroxy-14-methylpentadecanoic acid
SMILESCC(C)(O)CCCCCCCCCCCCC(=O)O
InChIInChI=1S/C16H32O3/c1-16(2,19)14-12-10-8-6-4-3-5-7-9-11-13-15(17)18/h19H,3-14H2,1-2H3,(H,17,18)
InChIKeyVZDGSOIDJPKIIF-UHFFFAOYSA-N
MW272.43 g/mol
LogP4.52
Rot. Bonds13

About 14-hydroxy-14-methylpentadecanoic acid

14-hydroxy-14-methylpentadecanoic acid (PubChem CID 548142) has the molecular formula C16H32O3 and a molecular weight of 272.43 g/mol. Its IUPAC name is 14-hydroxy-14-methylpentadecanoic acid.

Molecular Properties

Compound Name14-hydroxy-14-methylpentadecanoic acid
PubChem CID548142
Molecular FormulaC16H32O3
Molecular Weight272.43 g/mol
Exact Mass272.24
IUPAC Name14-hydroxy-14-methylpentadecanoic acid
SMILESCC(C)(O)CCCCCCCCCCCCC(=O)O
InChIInChI=1S/C16H32O3/c1-16(2,19)14-12-10-8-6-4-3-5-7-9-11-13-15(17)18/h19H,3-14H2,1-2H3,(H,17,18)
InChIKeyVZDGSOIDJPKIIF-UHFFFAOYSA-N
XLogP4.52
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.43
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

cerium;6,6-dimethylheptanoic acid;bis(8,8-dimethylnonanoic acid)
CID 56844010
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CID 56844104
7,7-dimethyloctanoic acid;mercury
CID 159526990
7,7-dimethyloctanoic acid;hafnium
CID 174685338
6,6-dimethylheptanoic acid;7,7-dimethyloctanoic acid;iron
CID 56841408
alumane;7,7-dimethyloctanoic acid
CID 174339298
7,7-dimethyloctanoic acid;platinum
CID 174840120
9-hydroxy-5,9-dimethyldecanoic acid
CID 170558406
16,16,16-trihydroxyhexadecanoic acid
CID 57274124
2,2-dimethyloctanedioic acid
CID 21225473
2,2-dimethylicosanedioic acid
CID 87760954
7-hydroxy-7-methyldodecanoic acid
CID 21420590

Frequently Asked Questions

What is the IUPAC name of 14-hydroxy-14-methylpentadecanoic acid?
The IUPAC name of 14-hydroxy-14-methylpentadecanoic acid (CID 548142) is 14-hydroxy-14-methylpentadecanoic acid.
What is the SMILES notation for 14-hydroxy-14-methylpentadecanoic acid?
The canonical SMILES for 14-hydroxy-14-methylpentadecanoic acid is CC(C)(O)CCCCCCCCCCCCC(=O)O.
What is the InChIKey of 14-hydroxy-14-methylpentadecanoic acid?
The InChIKey is VZDGSOIDJPKIIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O3/c1-16(2,19)14-12-10-8-6-4-3-5-7-9-11-13-15(17)18/h19H,3-14H2,1-2H3,(H,17,18).
What are the key properties of 14-hydroxy-14-methylpentadecanoic acid?
14-hydroxy-14-methylpentadecanoic acid has a molecular weight of 272.43 g/mol, XLogP of 4.52, 13 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 14-hydroxy-14-methylpentadecanoic acid is sourced from PubChem (CID 548142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).