(9S)-9-hydroxyhexadecan-8-one

C16H32O2 — CID 97045447

IUPAC(9S)-9-hydroxyhexadecan-8-one
SMILESCCCCCCCC(=O)[C@@H](O)CCCCCCC
InChIInChI=1S/C16H32O2/c1-3-5-7-9-11-13-15(17)16(18)14-12-10-8-6-4-2/h15,17H,3-14H2,1-2H3/t15-/m0/s1
InChIKeyGEOUKYZTVQMHGL-HNNXBMFYSA-N
MW256.43 g/mol
LogP4.64
Rot. Bonds13

About (9S)-9-hydroxyhexadecan-8-one

(9S)-9-hydroxyhexadecan-8-one (PubChem CID 97045447) has the molecular formula C16H32O2 and a molecular weight of 256.43 g/mol. Its IUPAC name is (9S)-9-hydroxyhexadecan-8-one.

Molecular Properties

Compound Name(9S)-9-hydroxyhexadecan-8-one
PubChem CID97045447
Molecular FormulaC16H32O2
Molecular Weight256.43 g/mol
Exact Mass256.24
IUPAC Name(9S)-9-hydroxyhexadecan-8-one
SMILESCCCCCCCC(=O)[C@@H](O)CCCCCCC
InChIInChI=1S/C16H32O2/c1-3-5-7-9-11-13-15(17)16(18)14-12-10-8-6-4-2/h15,17H,3-14H2,1-2H3/t15-/m0/s1
InChIKeyGEOUKYZTVQMHGL-HNNXBMFYSA-N
XLogP4.64
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

15-hydroxyoctacosan-14-one
CID 11270216
(9R)-9-hydroxyhexadecan-8-one
CID 97045448
(11S)-11-hydroxyicosan-10-one
CID 98053519
1,5-dihydroxyhexacosan-4-one
CID 141328006
21-hydroxytetraconta-6,9,31,34-tetraen-20-one
CID 123515424
2-fluoro-5-hydroxyundecan-6-one
CID 121216637
(3R)-1,3-dihydroxyoctan-2-one
CID 46187641
13-pentadecylheptacosane-12,14-dione
CID 141100144
6-hydroxypentadecane-7,8-dione
CID 57116193
10,13-dihydroxy-12-oxooctadecanoic acid
CID 91031479
2-hydroxyoctadecanoic acid;octadecanoic acid
CID 87989363
3-hydroxydecan-2-one
CID 12524096

Frequently Asked Questions

What is the IUPAC name of (9S)-9-hydroxyhexadecan-8-one?
The IUPAC name of (9S)-9-hydroxyhexadecan-8-one (CID 97045447) is (9S)-9-hydroxyhexadecan-8-one.
What is the SMILES notation for (9S)-9-hydroxyhexadecan-8-one?
The canonical SMILES for (9S)-9-hydroxyhexadecan-8-one is CCCCCCCC(=O)[C@@H](O)CCCCCCC.
What is the InChIKey of (9S)-9-hydroxyhexadecan-8-one?
The InChIKey is GEOUKYZTVQMHGL-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H32O2/c1-3-5-7-9-11-13-15(17)16(18)14-12-10-8-6-4-2/h15,17H,3-14H2,1-2H3/t15-/m0/s1.
What are the key properties of (9S)-9-hydroxyhexadecan-8-one?
(9S)-9-hydroxyhexadecan-8-one has a molecular weight of 256.43 g/mol, XLogP of 4.64, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (9S)-9-hydroxyhexadecan-8-one is sourced from PubChem (CID 97045447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).