14-hydroxy-14-methylhexadec-15-enoic acid

C17H32O3 — CID 551267

IUPAC14-hydroxy-14-methylhexadec-15-enoic acid
SMILESC=CC(C)(O)CCCCCCCCCCCCC(=O)O
InChIInChI=1S/C17H32O3/c1-3-17(2,20)15-13-11-9-7-5-4-6-8-10-12-14-16(18)19/h3,20H,1,4-15H2,2H3,(H,18,19)
InChIKeyFFEHBENZPUHNNL-UHFFFAOYSA-N
MW284.44 g/mol
LogP4.69
Rot. Bonds14

About 14-hydroxy-14-methylhexadec-15-enoic acid

14-hydroxy-14-methylhexadec-15-enoic acid (PubChem CID 551267) has the molecular formula C17H32O3 and a molecular weight of 284.44 g/mol. Its IUPAC name is 14-hydroxy-14-methylhexadec-15-enoic acid.

Molecular Properties

Compound Name14-hydroxy-14-methylhexadec-15-enoic acid
PubChem CID551267
Molecular FormulaC17H32O3
Molecular Weight284.44 g/mol
Exact Mass284.24
IUPAC Name14-hydroxy-14-methylhexadec-15-enoic acid
SMILESC=CC(C)(O)CCCCCCCCCCCCC(=O)O
InChIInChI=1S/C17H32O3/c1-3-17(2,20)15-13-11-9-7-5-4-6-8-10-12-14-16(18)19/h3,20H,1,4-15H2,2H3,(H,18,19)
InChIKeyFFEHBENZPUHNNL-UHFFFAOYSA-N
XLogP4.69
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-Hydroxy-2,6-dimethyloct-7-enoic acid
CID 59229404
2-Methyl-16-heptadecenoic acid
CID 5312302
2-Methylundec-10-enoic acid
CID 17824902
2-Methyldec-9-enoic acid
CID 17825207
Tridecene-12-carboxylic acid
CID 87864392
2-Fluoro-2-prop-2-enyloctadecanoic acid
CID 87607806
2-Prop-2-enyltridecanoic acid
CID 292829
2-Prop-2-enylpentadecanoic acid
CID 292836
7-Hydroxy-7-vinyl-4-hexadecenoic acid
CID 85694706
9-Ethenyl-9-hydroxytetradecan-7-one
CID 90778722
2-Pentyltridec-12-enoic acid
CID 292827
2-Hexyltridec-12-enoic acid
CID 292835

Frequently Asked Questions

What is the IUPAC name of 14-hydroxy-14-methylhexadec-15-enoic acid?
The IUPAC name of 14-hydroxy-14-methylhexadec-15-enoic acid (CID 551267) is 14-hydroxy-14-methylhexadec-15-enoic acid.
What is the SMILES notation for 14-hydroxy-14-methylhexadec-15-enoic acid?
The canonical SMILES for 14-hydroxy-14-methylhexadec-15-enoic acid is C=CC(C)(O)CCCCCCCCCCCCC(=O)O.
What is the InChIKey of 14-hydroxy-14-methylhexadec-15-enoic acid?
The InChIKey is FFEHBENZPUHNNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32O3/c1-3-17(2,20)15-13-11-9-7-5-4-6-8-10-12-14-16(18)19/h3,20H,1,4-15H2,2H3,(H,18,19).
What are the key properties of 14-hydroxy-14-methylhexadec-15-enoic acid?
14-hydroxy-14-methylhexadec-15-enoic acid has a molecular weight of 284.44 g/mol, XLogP of 4.69, 14 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 14-hydroxy-14-methylhexadec-15-enoic acid is sourced from PubChem (CID 551267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).