6-hydroxyoxepan-2-one

C6H10O3 — CID 130130371

IUPAC6-hydroxyoxepan-2-one
SMILESO=C1CCCC(O)CO1
InChIInChI=1S/C6H10O3/c7-5-2-1-3-6(8)9-4-5/h5,7H,1-4H2
InChIKeyDKGRNUAHQCWLCV-UHFFFAOYSA-N
MW130.14 g/mol
LogP0.07
Rot. Bonds

About 6-hydroxyoxepan-2-one

6-hydroxyoxepan-2-one (PubChem CID 130130371) has the molecular formula C6H10O3 and a molecular weight of 130.14 g/mol. Its IUPAC name is 6-hydroxyoxepan-2-one.

Molecular Properties

Compound Name6-hydroxyoxepan-2-one
PubChem CID130130371
Molecular FormulaC6H10O3
Molecular Weight130.14 g/mol
Exact Mass130.06
IUPAC Name6-hydroxyoxepan-2-one
SMILESO=C1CCCC(O)CO1
InChIInChI=1S/C6H10O3/c7-5-2-1-3-6(8)9-4-5/h5,7H,1-4H2
InChIKeyDKGRNUAHQCWLCV-UHFFFAOYSA-N
XLogP0.07
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 ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(6S)-6-methyloxepan-2-one
CID 14866717
3,9-dioxabicyclo[9.2.2]pentadecane-4,8-dione
CID 69190780
14-hydroxy-1,4,7,10-tetraoxacyclononadecane-11,19-dione
CID 23567721
3,4,5,6-tetrahydro-2H-1-benzoxocin-3-ol
CID 14339272
(1R,12R)-3,10,13,15-tetraoxabicyclo[10.3.0]pentadecane-4,9-dione
CID 101027582
cis-(13S,14R)-13,14-dihydroxy-oxacyclohexadecan-2-one
CID 175759796
2-cyclohexyl-1,4-dioxecane-5,10-dione
CID 54163807
6-dodecyloxepan-2-one
CID 141057550
2,3-dimethyl-1,5-dioxacycloheptadecane-6,17-dione;ethane-1,2-diol
CID 70414102
(2R)-2-methyl-1,4-dioxacyclotetradecane-5,14-dione
CID 7075077
2-methyl-1,4-dioxacyclooctadecane-5,18-dione
CID 18006200
(213C)oxolan-2-one
CID 175700736

Frequently Asked Questions

What is the IUPAC name of 6-hydroxyoxepan-2-one?
The IUPAC name of 6-hydroxyoxepan-2-one (CID 130130371) is 6-hydroxyoxepan-2-one.
What is the SMILES notation for 6-hydroxyoxepan-2-one?
The canonical SMILES for 6-hydroxyoxepan-2-one is O=C1CCCC(O)CO1.
What is the InChIKey of 6-hydroxyoxepan-2-one?
The InChIKey is DKGRNUAHQCWLCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O3/c7-5-2-1-3-6(8)9-4-5/h5,7H,1-4H2.
What are the key properties of 6-hydroxyoxepan-2-one?
6-hydroxyoxepan-2-one has a molecular weight of 130.14 g/mol, XLogP of 0.07, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxyoxepan-2-one is sourced from PubChem (CID 130130371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).