(1S,5S)-5-ethyl-6-oxabicyclo[3.1.0]hexan-2-one

C7H10O2 — CID 130909528

IUPAC(1S,5S)-5-ethyl-6-oxabicyclo[3.1.0]hexan-2-one
SMILESCC[C@]12CCC(=O)[C@H]1O2
InChIInChI=1S/C7H10O2/c1-2-7-4-3-5(8)6(7)9-7/h6H,2-4H2,1H3/t6-,7+/m1/s1
InChIKeyWVQJDIOZHLMZFM-RQJHMYQMSA-N
MW126.16 g/mol
LogP0.90
Rot. Bonds1

About (1S,5S)-5-ethyl-6-oxabicyclo[3.1.0]hexan-2-one

(1S,5S)-5-ethyl-6-oxabicyclo[3.1.0]hexan-2-one (PubChem CID 130909528) has the molecular formula C7H10O2 and a molecular weight of 126.16 g/mol. Its IUPAC name is (1S,5S)-5-ethyl-6-oxabicyclo[3.1.0]hexan-2-one.

Molecular Properties

Compound Name(1S,5S)-5-ethyl-6-oxabicyclo[3.1.0]hexan-2-one
PubChem CID130909528
Molecular FormulaC7H10O2
Molecular Weight126.16 g/mol
Exact Mass126.07
IUPAC Name(1S,5S)-5-ethyl-6-oxabicyclo[3.1.0]hexan-2-one
SMILESCC[C@]12CCC(=O)[C@H]1O2
InChIInChI=1S/C7H10O2/c1-2-7-4-3-5(8)6(7)9-7/h6H,2-4H2,1H3/t6-,7+/m1/s1
InChIKeyWVQJDIOZHLMZFM-RQJHMYQMSA-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
Cyclopentane, 1-acetyl-1,2-epoxy-
CID 537123
4,5-Dimethyl-6-oxabicyclo(3.1.0)hexan-2-one
CID 165355808
4,4-Dimethyl-6-oxabicyclo[3.1.0]hexan-2-one
CID 342363
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,5S)-4,4-dimethyl-6-oxabicyclo[3.1.0]hexan-2-one
CID 92148455
(1S,5R)-5-(2-methylpropyl)-6-oxabicyclo[3.1.0]hexan-2-one
CID 130844481
2,3-Epoxy-2-methylcyclopentan-1-one
CID 130862055
6-Oxabicyclo[3.1.0]hexane-1-carbaldehyde
CID 12872199
1-Ethyl-6-oxabicyclo[3.1.0]hexan-2-one
CID 88830462

Frequently Asked Questions

What is the IUPAC name of (1S,5S)-5-ethyl-6-oxabicyclo[3.1.0]hexan-2-one?
The IUPAC name of (1S,5S)-5-ethyl-6-oxabicyclo[3.1.0]hexan-2-one (CID 130909528) is (1S,5S)-5-ethyl-6-oxabicyclo[3.1.0]hexan-2-one.
What is the SMILES notation for (1S,5S)-5-ethyl-6-oxabicyclo[3.1.0]hexan-2-one?
The canonical SMILES for (1S,5S)-5-ethyl-6-oxabicyclo[3.1.0]hexan-2-one is CC[C@]12CCC(=O)[C@H]1O2.
What is the InChIKey of (1S,5S)-5-ethyl-6-oxabicyclo[3.1.0]hexan-2-one?
The InChIKey is WVQJDIOZHLMZFM-RQJHMYQMSA-N. The full InChI is InChI=1S/C7H10O2/c1-2-7-4-3-5(8)6(7)9-7/h6H,2-4H2,1H3/t6-,7+/m1/s1.
What are the key properties of (1S,5S)-5-ethyl-6-oxabicyclo[3.1.0]hexan-2-one?
(1S,5S)-5-ethyl-6-oxabicyclo[3.1.0]hexan-2-one 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 (1S,5S)-5-ethyl-6-oxabicyclo[3.1.0]hexan-2-one is sourced from PubChem (CID 130909528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).