(7S)-7-hydroxydotriacontan-2-one

C32H64O2 — CID 162871149

IUPAC(7S)-7-hydroxydotriacontan-2-one
SMILESCCCCCCCCCCCCCCCCCCCCCCCCC[C@H](O)CCCCC(C)=O
InChIInChI=1S/C32H64O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-29-32(34)30-27-26-28-31(2)33/h32,34H,3-30H2,1-2H3/t32-/m0/s1
InChIKeyWOGFTQKWQRUBTE-YTTGMZPUSA-N
MW480.86 g/mol
LogP10.88
Rot. Bonds29

About (7S)-7-hydroxydotriacontan-2-one

(7S)-7-hydroxydotriacontan-2-one (PubChem CID 162871149) has the molecular formula C32H64O2 and a molecular weight of 480.86 g/mol. Its IUPAC name is (7S)-7-hydroxydotriacontan-2-one.

Molecular Properties

Compound Name(7S)-7-hydroxydotriacontan-2-one
PubChem CID162871149
Molecular FormulaC32H64O2
Molecular Weight480.86 g/mol
Exact Mass480.49
IUPAC Name(7S)-7-hydroxydotriacontan-2-one
SMILESCCCCCCCCCCCCCCCCCCCCCCCCC[C@H](O)CCCCC(C)=O
InChIInChI=1S/C32H64O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-29-32(34)30-27-26-28-31(2)33/h32,34H,3-30H2,1-2H3/t32-/m0/s1
InChIKeyWOGFTQKWQRUBTE-YTTGMZPUSA-N
XLogP10.88
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds29
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.86
LogP ≤ 510.88
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

10-hydroxynonadecan-2-one
CID 15922920
(13R)-13-hydroxynonadecan-2-one
CID 58468474
heptadecan-2-one;hexadecan-2-one;10-hydroxyheptadecan-2-one;11-hydroxyheptadecan-2-one;pentadecan-2-one
CID 163962399
10,13-dihydroxynonadecan-2-one
CID 164804782
13-hydroxyheptadecan-2-one
CID 164804784
11-hydroxytridecan-2-one
CID 11687152
(22S)-22-hydroxytetratriacontan-13-one
CID 162898768
decan-2-one
CID 12741
octadecakis(hexane);nonan-2-one
CID 173226284
nonan-2-one
CID 13187
tricosan-2-one
CID 529806
docosan-2-one
CID 522660

Frequently Asked Questions

What is the IUPAC name of (7S)-7-hydroxydotriacontan-2-one?
The IUPAC name of (7S)-7-hydroxydotriacontan-2-one (CID 162871149) is (7S)-7-hydroxydotriacontan-2-one.
What is the SMILES notation for (7S)-7-hydroxydotriacontan-2-one?
The canonical SMILES for (7S)-7-hydroxydotriacontan-2-one is CCCCCCCCCCCCCCCCCCCCCCCCC[C@H](O)CCCCC(C)=O.
What is the InChIKey of (7S)-7-hydroxydotriacontan-2-one?
The InChIKey is WOGFTQKWQRUBTE-YTTGMZPUSA-N. The full InChI is InChI=1S/C32H64O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-29-32(34)30-27-26-28-31(2)33/h32,34H,3-30H2,1-2H3/t32-/m0/s1.
What are the key properties of (7S)-7-hydroxydotriacontan-2-one?
(7S)-7-hydroxydotriacontan-2-one has a molecular weight of 480.86 g/mol, XLogP of 10.88, 29 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-7-hydroxydotriacontan-2-one is sourced from PubChem (CID 162871149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).