(11S)-11-hydroxyicosan-10-one

C20H40O2 — CID 98053519

IUPAC(11S)-11-hydroxyicosan-10-one
SMILESCCCCCCCCCC(=O)[C@@H](O)CCCCCCCCC
InChIInChI=1S/C20H40O2/c1-3-5-7-9-11-13-15-17-19(21)20(22)18-16-14-12-10-8-6-4-2/h19,21H,3-18H2,1-2H3/t19-/m0/s1
InChIKeyGQTOXQBZLGGQPF-IBGZPJMESA-N
MW312.54 g/mol
LogP6.20
Rot. Bonds17

About (11S)-11-hydroxyicosan-10-one

(11S)-11-hydroxyicosan-10-one (PubChem CID 98053519) has the molecular formula C20H40O2 and a molecular weight of 312.54 g/mol. Its IUPAC name is (11S)-11-hydroxyicosan-10-one.

Molecular Properties

Compound Name(11S)-11-hydroxyicosan-10-one
PubChem CID98053519
Molecular FormulaC20H40O2
Molecular Weight312.54 g/mol
Exact Mass312.30
IUPAC Name(11S)-11-hydroxyicosan-10-one
SMILESCCCCCCCCCC(=O)[C@@H](O)CCCCCCCCC
InChIInChI=1S/C20H40O2/c1-3-5-7-9-11-13-15-17-19(21)20(22)18-16-14-12-10-8-6-4-2/h19,21H,3-18H2,1-2H3/t19-/m0/s1
InChIKeyGQTOXQBZLGGQPF-IBGZPJMESA-N
XLogP6.20
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.54
LogP ≤ 56.20
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

(9S)-9-hydroxyhexadecan-8-one
CID 97045447
15-hydroxyoctacosan-14-one
CID 11270216
(9R)-9-hydroxyhexadecan-8-one
CID 97045448
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
(2R)-2-hydroxydecanoic acid
CID 13144006

Frequently Asked Questions

What is the IUPAC name of (11S)-11-hydroxyicosan-10-one?
The IUPAC name of (11S)-11-hydroxyicosan-10-one (CID 98053519) is (11S)-11-hydroxyicosan-10-one.
What is the SMILES notation for (11S)-11-hydroxyicosan-10-one?
The canonical SMILES for (11S)-11-hydroxyicosan-10-one is CCCCCCCCCC(=O)[C@@H](O)CCCCCCCCC.
What is the InChIKey of (11S)-11-hydroxyicosan-10-one?
The InChIKey is GQTOXQBZLGGQPF-IBGZPJMESA-N. The full InChI is InChI=1S/C20H40O2/c1-3-5-7-9-11-13-15-17-19(21)20(22)18-16-14-12-10-8-6-4-2/h19,21H,3-18H2,1-2H3/t19-/m0/s1.
What are the key properties of (11S)-11-hydroxyicosan-10-one?
(11S)-11-hydroxyicosan-10-one has a molecular weight of 312.54 g/mol, XLogP of 6.20, 17 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (11S)-11-hydroxyicosan-10-one is sourced from PubChem (CID 98053519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).