2,15,15-trihydroxyhexadecanoic acid

C16H32O5 — CID 145010859

IUPAC2,15,15-trihydroxyhexadecanoic acid
SMILESCC(O)(O)CCCCCCCCCCCCC(O)C(=O)O
InChIInChI=1S/C16H32O5/c1-16(20,21)13-11-9-7-5-3-2-4-6-8-10-12-14(17)15(18)19/h14,17,20-21H,2-13H2,1H3,(H,18,19)
InChIKeyDRIAHXRHJOFTAU-UHFFFAOYSA-N
MW304.43 g/mol
LogP2.81
Rot. Bonds14

About 2,15,15-trihydroxyhexadecanoic acid

2,15,15-trihydroxyhexadecanoic acid (PubChem CID 145010859) has the molecular formula C16H32O5 and a molecular weight of 304.43 g/mol. Its IUPAC name is 2,15,15-trihydroxyhexadecanoic acid.

Molecular Properties

Compound Name2,15,15-trihydroxyhexadecanoic acid
PubChem CID145010859
Molecular FormulaC16H32O5
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name2,15,15-trihydroxyhexadecanoic acid
SMILESCC(O)(O)CCCCCCCCCCCCC(O)C(=O)O
InChIInChI=1S/C16H32O5/c1-16(20,21)13-11-9-7-5-3-2-4-6-8-10-12-14(17)15(18)19/h14,17,20-21H,2-13H2,1H3,(H,18,19)
InChIKeyDRIAHXRHJOFTAU-UHFFFAOYSA-N
XLogP2.81
TPSA97.99 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 52.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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

2-hydroxydecanoic acid
CID 161255514
2-hydroxy-17-methyloctadecanoic acid
CID 23427391
(2R)-2-hydroxydecanoic acid
CID 13144006
2-hydroxytridecanoic acid
CID 5282901
2-hydroxyoctadecanoic acid
CID 87724091
2-hydroxytetradecanoic acid;titanium
CID 174290276
2,10-dihydroxydecanoic acid
CID 23158566
2-hydroxyheptanoic acid
CID 2750949
sodium;hydride;2-hydroxynonanoic acid
CID 175073840
2-hydroxynonanedioic acid
CID 12760708
(2R)-7-amino-2-hydroxyheptanoic acid
CID 144842569
(2R)-2-hydroxyhexanoic acid
CID 6995511

Frequently Asked Questions

What is the IUPAC name of 2,15,15-trihydroxyhexadecanoic acid?
The IUPAC name of 2,15,15-trihydroxyhexadecanoic acid (CID 145010859) is 2,15,15-trihydroxyhexadecanoic acid.
What is the SMILES notation for 2,15,15-trihydroxyhexadecanoic acid?
The canonical SMILES for 2,15,15-trihydroxyhexadecanoic acid is CC(O)(O)CCCCCCCCCCCCC(O)C(=O)O.
What is the InChIKey of 2,15,15-trihydroxyhexadecanoic acid?
The InChIKey is DRIAHXRHJOFTAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O5/c1-16(20,21)13-11-9-7-5-3-2-4-6-8-10-12-14(17)15(18)19/h14,17,20-21H,2-13H2,1H3,(H,18,19).
What are the key properties of 2,15,15-trihydroxyhexadecanoic acid?
2,15,15-trihydroxyhexadecanoic acid has a molecular weight of 304.43 g/mol, XLogP of 2.81, 14 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,15,15-trihydroxyhexadecanoic acid is sourced from PubChem (CID 145010859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).