(11S)-11-hydroxyhexadecanoic acid

C16H32O3 — CID 5312820

IUPAC(11S)-11-hydroxyhexadecanoic acid
SMILESCCCCC[C@H](O)CCCCCCCCCC(=O)O
InChIInChI=1S/C16H32O3/c1-2-3-9-12-15(17)13-10-7-5-4-6-8-11-14-16(18)19/h15,17H,2-14H2,1H3,(H,18,19)/t15-/m0/s1
InChIKeyYNQGVRJFSHTULP-HNNXBMFYSA-N
MW272.43 g/mol
LogP4.52
Rot. Bonds14

About (11S)-11-hydroxyhexadecanoic acid

(11S)-11-hydroxyhexadecanoic acid (PubChem CID 5312820) has the molecular formula C16H32O3 and a molecular weight of 272.43 g/mol. Its IUPAC name is (11S)-11-hydroxyhexadecanoic acid.

Molecular Properties

Compound Name(11S)-11-hydroxyhexadecanoic acid
PubChem CID5312820
Molecular FormulaC16H32O3
Molecular Weight272.43 g/mol
Exact Mass272.24
IUPAC Name(11S)-11-hydroxyhexadecanoic acid
SMILESCCCCC[C@H](O)CCCCCCCCCC(=O)O
InChIInChI=1S/C16H32O3/c1-2-3-9-12-15(17)13-10-7-5-4-6-8-11-14-16(18)19/h15,17H,2-14H2,1H3,(H,18,19)/t15-/m0/s1
InChIKeyYNQGVRJFSHTULP-HNNXBMFYSA-N
XLogP4.52
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds14
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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Frequently Asked Questions

What is the IUPAC name of (11S)-11-hydroxyhexadecanoic acid?
The IUPAC name of (11S)-11-hydroxyhexadecanoic acid (CID 5312820) is (11S)-11-hydroxyhexadecanoic acid.
What is the SMILES notation for (11S)-11-hydroxyhexadecanoic acid?
The canonical SMILES for (11S)-11-hydroxyhexadecanoic acid is CCCCC[C@H](O)CCCCCCCCCC(=O)O.
What is the InChIKey of (11S)-11-hydroxyhexadecanoic acid?
The InChIKey is YNQGVRJFSHTULP-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H32O3/c1-2-3-9-12-15(17)13-10-7-5-4-6-8-11-14-16(18)19/h15,17H,2-14H2,1H3,(H,18,19)/t15-/m0/s1.
What are the key properties of (11S)-11-hydroxyhexadecanoic acid?
(11S)-11-hydroxyhexadecanoic acid has a molecular weight of 272.43 g/mol, XLogP of 4.52, 14 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (11S)-11-hydroxyhexadecanoic acid is sourced from PubChem (CID 5312820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).