14,14-dihydroxyhexadecanoic acid

C16H32O4 — CID 146242114

IUPAC14,14-dihydroxyhexadecanoic acid
SMILESCCC(O)(O)CCCCCCCCCCCCC(=O)O
InChIInChI=1S/C16H32O4/c1-2-16(19,20)14-12-10-8-6-4-3-5-7-9-11-13-15(17)18/h19-20H,2-14H2,1H3,(H,17,18)
InChIKeyQOGWJCUYTOVJRN-UHFFFAOYSA-N
MW288.43 g/mol
LogP3.84
Rot. Bonds14

About 14,14-dihydroxyhexadecanoic acid

14,14-dihydroxyhexadecanoic acid (PubChem CID 146242114) has the molecular formula C16H32O4 and a molecular weight of 288.43 g/mol. Its IUPAC name is 14,14-dihydroxyhexadecanoic acid.

Molecular Properties

Compound Name14,14-dihydroxyhexadecanoic acid
PubChem CID146242114
Molecular FormulaC16H32O4
Molecular Weight288.43 g/mol
Exact Mass288.23
IUPAC Name14,14-dihydroxyhexadecanoic acid
SMILESCCC(O)(O)CCCCCCCCCCCCC(=O)O
InChIInChI=1S/C16H32O4/c1-2-16(19,20)14-12-10-8-6-4-3-5-7-9-11-13-15(17)18/h19-20H,2-14H2,1H3,(H,17,18)
InChIKeyQOGWJCUYTOVJRN-UHFFFAOYSA-N
XLogP3.84
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 53.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

14-hydroxy-14-methylpentadecanoic acid
CID 548142
16,16,16-trihydroxyhexadecanoic acid
CID 57274124
7-hydroxy-7-methyldodecanoic acid
CID 21420590
(9Z,31Z)-19,19-dihydroxytetraconta-9,31-dienedioic acid
CID 88696832
nonane-3,3-diol
CID 22472104
2,2-dihydroxyoctadecanoic acid;hexadecanoic acid
CID 174926334
7,7-dimethyloctanoic acid;hafnium
CID 174685338
7,7-dimethyloctanoic acid;mercury
CID 159526990
cerium;6,6-dimethylheptanoic acid;bis(8,8-dimethylnonanoic acid)
CID 56844010
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

Frequently Asked Questions

What is the IUPAC name of 14,14-dihydroxyhexadecanoic acid?
The IUPAC name of 14,14-dihydroxyhexadecanoic acid (CID 146242114) is 14,14-dihydroxyhexadecanoic acid.
What is the SMILES notation for 14,14-dihydroxyhexadecanoic acid?
The canonical SMILES for 14,14-dihydroxyhexadecanoic acid is CCC(O)(O)CCCCCCCCCCCCC(=O)O.
What is the InChIKey of 14,14-dihydroxyhexadecanoic acid?
The InChIKey is QOGWJCUYTOVJRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O4/c1-2-16(19,20)14-12-10-8-6-4-3-5-7-9-11-13-15(17)18/h19-20H,2-14H2,1H3,(H,17,18).
What are the key properties of 14,14-dihydroxyhexadecanoic acid?
14,14-dihydroxyhexadecanoic acid has a molecular weight of 288.43 g/mol, XLogP of 3.84, 14 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 14,14-dihydroxyhexadecanoic acid is sourced from PubChem (CID 146242114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).