(1R,5S,6R)-6-ethyl-3-oxabicyclo[3.1.0]hexan-2-one

C7H10O2 — CID 14754472

IUPAC(1R,5S,6R)-6-ethyl-3-oxabicyclo[3.1.0]hexan-2-one
SMILESCC[C@@H]1[C@@H]2COC(=O)[C@H]12
InChIInChI=1S/C7H10O2/c1-2-4-5-3-9-7(8)6(4)5/h4-6H,2-3H2,1H3/t4-,5+,6-/m1/s1
InChIKeyUJXQZRMATSGMOX-NGJCXOISSA-N
MW126.16 g/mol
LogP0.82
Rot. Bonds1

About (1R,5S,6R)-6-ethyl-3-oxabicyclo[3.1.0]hexan-2-one

(1R,5S,6R)-6-ethyl-3-oxabicyclo[3.1.0]hexan-2-one (PubChem CID 14754472) has the molecular formula C7H10O2 and a molecular weight of 126.16 g/mol. Its IUPAC name is (1R,5S,6R)-6-ethyl-3-oxabicyclo[3.1.0]hexan-2-one.

Molecular Properties

Compound Name(1R,5S,6R)-6-ethyl-3-oxabicyclo[3.1.0]hexan-2-one
PubChem CID14754472
Molecular FormulaC7H10O2
Molecular Weight126.16 g/mol
Exact Mass126.07
IUPAC Name(1R,5S,6R)-6-ethyl-3-oxabicyclo[3.1.0]hexan-2-one
SMILESCC[C@@H]1[C@@H]2COC(=O)[C@H]12
InChIInChI=1S/C7H10O2/c1-2-4-5-3-9-7(8)6(4)5/h4-6H,2-3H2,1H3/t4-,5+,6-/m1/s1
InChIKeyUJXQZRMATSGMOX-NGJCXOISSA-N
XLogP0.82
TPSA26.30 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 ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 57128049
CID 67472598
CID 67472598
6-[(E)-prop-1-enyl]-3-oxabicyclo[3.1.0]hexan-2-one
CID 101178407
8-amino-9-ethoxy-4-oxatricyclo[5.2.1.02,6]decan-3-one
CID 149104854
10,10-dimethyl-4-oxatricyclo[5.2.1.02,6]decan-3-one
CID 123915338
8,9-dimethoxy-4-oxatricyclo[5.2.1.02,6]decan-3-one
CID 58868408
4-oxatricyclo[5.2.1.02,6]dec-8-ene-3,10-dione
CID 130038372
(1S,2S,6R,7R)-4-oxatricyclo[5.2.1.02,6]decan-3-one
CID 11804959
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Frequently Asked Questions

What is the IUPAC name of (1R,5S,6R)-6-ethyl-3-oxabicyclo[3.1.0]hexan-2-one?
The IUPAC name of (1R,5S,6R)-6-ethyl-3-oxabicyclo[3.1.0]hexan-2-one (CID 14754472) is (1R,5S,6R)-6-ethyl-3-oxabicyclo[3.1.0]hexan-2-one.
What is the SMILES notation for (1R,5S,6R)-6-ethyl-3-oxabicyclo[3.1.0]hexan-2-one?
The canonical SMILES for (1R,5S,6R)-6-ethyl-3-oxabicyclo[3.1.0]hexan-2-one is CC[C@@H]1[C@@H]2COC(=O)[C@H]12.
What is the InChIKey of (1R,5S,6R)-6-ethyl-3-oxabicyclo[3.1.0]hexan-2-one?
The InChIKey is UJXQZRMATSGMOX-NGJCXOISSA-N. The full InChI is InChI=1S/C7H10O2/c1-2-4-5-3-9-7(8)6(4)5/h4-6H,2-3H2,1H3/t4-,5+,6-/m1/s1.
What are the key properties of (1R,5S,6R)-6-ethyl-3-oxabicyclo[3.1.0]hexan-2-one?
(1R,5S,6R)-6-ethyl-3-oxabicyclo[3.1.0]hexan-2-one has a molecular weight of 126.16 g/mol, XLogP of 0.82, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S,6R)-6-ethyl-3-oxabicyclo[3.1.0]hexan-2-one is sourced from PubChem (CID 14754472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).