1-(6-oxabicyclo[3.1.0]hexan-1-yl)ethanone

C7H10O2 — CID 537123

IUPAC1-(6-oxabicyclo[3.1.0]hexan-1-yl)ethanone
SMILESCC(=O)C12CCCC1O2
InChIInChI=1S/C7H10O2/c1-5(8)7-4-2-3-6(7)9-7/h6H,2-4H2,1H3
InChIKeyOAVZVNDSDPGHBL-UHFFFAOYSA-N
MW126.16 g/mol
LogP0.90
Rot. Bonds1

About 1-(6-oxabicyclo[3.1.0]hexan-1-yl)ethanone

1-(6-oxabicyclo[3.1.0]hexan-1-yl)ethanone (PubChem CID 537123) has the molecular formula C7H10O2 and a molecular weight of 126.16 g/mol. Its IUPAC name is 1-(6-oxabicyclo[3.1.0]hexan-1-yl)ethanone.

Molecular Properties

Compound Name1-(6-oxabicyclo[3.1.0]hexan-1-yl)ethanone
PubChem CID537123
Molecular FormulaC7H10O2
Molecular Weight126.16 g/mol
Exact Mass126.07
IUPAC Name1-(6-oxabicyclo[3.1.0]hexan-1-yl)ethanone
SMILESCC(=O)C12CCCC1O2
InChIInChI=1S/C7H10O2/c1-5(8)7-4-2-3-6(7)9-7/h6H,2-4H2,1H3
InChIKeyOAVZVNDSDPGHBL-UHFFFAOYSA-N
XLogP0.90
TPSA29.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

5-Methyl-6-oxabicyclo[3.1.0]hexan-2-one
CID 315201
4,5-Dimethyl-6-oxabicyclo(3.1.0)hexan-2-one
CID 165355808
1-Pentyl-6-oxabicyclo[3.1.0]hexan-2-one
CID 19089413
1-Methyl-6-oxabicyclo[3.1.0]hexan-2-one
CID 85518914
1-[(1S,5R)-6-oxabicyclo[3.1.0]hexan-1-yl]ethanone
CID 12166702
(1S,5R)-5-(2-methylpropyl)-6-oxabicyclo[3.1.0]hexan-2-one
CID 130844481
2,3-Epoxy-2-methylcyclopentan-1-one
CID 130862055
(1S,5S)-5-ethyl-6-oxabicyclo[3.1.0]hexan-2-one
CID 130909528
(2S,3S)-2-ethyl-1-oxaspiro[2.5]octan-4-one
CID 145996497
2-Methyl-1-oxaspiro[2.5]octan-4-one
CID 12222038
6-Oxabicyclo[3.1.0]hexane-1-carbaldehyde
CID 12872199
1-[(1S,2R,5R)-2-methyl-6-oxabicyclo[3.1.0]hexan-1-yl]ethanone
CID 59958327

Frequently Asked Questions

What is the IUPAC name of 1-(6-oxabicyclo[3.1.0]hexan-1-yl)ethanone?
The IUPAC name of 1-(6-oxabicyclo[3.1.0]hexan-1-yl)ethanone (CID 537123) is 1-(6-oxabicyclo[3.1.0]hexan-1-yl)ethanone.
What is the SMILES notation for 1-(6-oxabicyclo[3.1.0]hexan-1-yl)ethanone?
The canonical SMILES for 1-(6-oxabicyclo[3.1.0]hexan-1-yl)ethanone is CC(=O)C12CCCC1O2.
What is the InChIKey of 1-(6-oxabicyclo[3.1.0]hexan-1-yl)ethanone?
The InChIKey is OAVZVNDSDPGHBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O2/c1-5(8)7-4-2-3-6(7)9-7/h6H,2-4H2,1H3.
What are the key properties of 1-(6-oxabicyclo[3.1.0]hexan-1-yl)ethanone?
1-(6-oxabicyclo[3.1.0]hexan-1-yl)ethanone has a molecular weight of 126.16 g/mol, XLogP of 0.90, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-oxabicyclo[3.1.0]hexan-1-yl)ethanone is sourced from PubChem (CID 537123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).