(7S)-7-hydroxyoxepan-2-one

C6H10O3 — CID 131065428

IUPAC(7S)-7-hydroxyoxepan-2-one
SMILESO=C1CCCC[C@@H](O)O1
InChIInChI=1S/C6H10O3/c7-5-3-1-2-4-6(8)9-5/h5,7H,1-4H2/t5-/m0/s1
InChIKeyFXIBGWAZMBWMLW-YFKPBYRVSA-N
MW130.14 g/mol
LogP0.42
Rot. Bonds

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

(7S)-7-hydroxyoxepan-2-one (PubChem CID 131065428) has the molecular formula C6H10O3 and a molecular weight of 130.14 g/mol. Its IUPAC name is (7S)-7-hydroxyoxepan-2-one.

Molecular Properties

Compound Name(7S)-7-hydroxyoxepan-2-one
PubChem CID131065428
Molecular FormulaC6H10O3
Molecular Weight130.14 g/mol
Exact Mass130.06
IUPAC Name(7S)-7-hydroxyoxepan-2-one
SMILESO=C1CCCC[C@@H](O)O1
InChIInChI=1S/C6H10O3/c7-5-3-1-2-4-6(8)9-5/h5,7H,1-4H2/t5-/m0/s1
InChIKeyFXIBGWAZMBWMLW-YFKPBYRVSA-N
XLogP0.42
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.14
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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6-ethyloxan-2-one;oxan-2-ol
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7-(iodomethyl)oxepan-2-one
CID 11807205
9,10-dimethyloxecan-2-one
CID 102227238
(9R)-9-ethyloxonan-2-one
CID 54340758
8-pyrrolidin-1-yloxocan-2-one
CID 89421945
(9R)-9-pyrrolidin-1-yloxonan-2-one
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Frequently Asked Questions

What is the IUPAC name of (7S)-7-hydroxyoxepan-2-one?
The IUPAC name of (7S)-7-hydroxyoxepan-2-one (CID 131065428) is (7S)-7-hydroxyoxepan-2-one.
What is the SMILES notation for (7S)-7-hydroxyoxepan-2-one?
The canonical SMILES for (7S)-7-hydroxyoxepan-2-one is O=C1CCCC[C@@H](O)O1.
What is the InChIKey of (7S)-7-hydroxyoxepan-2-one?
The InChIKey is FXIBGWAZMBWMLW-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H10O3/c7-5-3-1-2-4-6(8)9-5/h5,7H,1-4H2/t5-/m0/s1.
What are the key properties of (7S)-7-hydroxyoxepan-2-one?
(7S)-7-hydroxyoxepan-2-one has a molecular weight of 130.14 g/mol, XLogP of 0.42, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-7-hydroxyoxepan-2-one is sourced from PubChem (CID 131065428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).