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

C6H8O2 — CID 11343999

IUPAC(1R,5S,6R)-6-methyl-3-oxabicyclo[3.1.0]hexan-2-one
SMILESC[C@@H]1[C@@H]2COC(=O)[C@H]12
InChIInChI=1S/C6H8O2/c1-3-4-2-8-6(7)5(3)4/h3-5H,2H2,1H3/t3-,4+,5-/m1/s1
InChIKeyODZSNSOKRZBPDY-MROZADKFSA-N
MW112.13 g/mol
LogP0.43
Rot. Bonds

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

(1R,5S,6R)-6-methyl-3-oxabicyclo[3.1.0]hexan-2-one (PubChem CID 11343999) has the molecular formula C6H8O2 and a molecular weight of 112.13 g/mol. Its IUPAC name is (1R,5S,6R)-6-methyl-3-oxabicyclo[3.1.0]hexan-2-one.

Molecular Properties

Compound Name(1R,5S,6R)-6-methyl-3-oxabicyclo[3.1.0]hexan-2-one
PubChem CID11343999
Molecular FormulaC6H8O2
Molecular Weight112.13 g/mol
Exact Mass112.05
IUPAC Name(1R,5S,6R)-6-methyl-3-oxabicyclo[3.1.0]hexan-2-one
SMILESC[C@@H]1[C@@H]2COC(=O)[C@H]12
InChIInChI=1S/C6H8O2/c1-3-4-2-8-6(7)5(3)4/h3-5H,2H2,1H3/t3-,4+,5-/m1/s1
InChIKeyODZSNSOKRZBPDY-MROZADKFSA-N
XLogP0.43
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.13
LogP ≤ 50.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

beta-Methyl-delta-valerolactone
CID 79142
4-Ethyloxolan-2-one
CID 27893
3-Ethyloxolan-2-one
CID 257369
6,6-Dimethyl-3-oxabicyclo[3.1.0]hexan-2-one
CID 11815358
rac-(1R,5S)-6,6-dimethyl-3-oxabicyclo(3.1.0)hexan-2-one
CID 11029843
(4r)-4-Methyltetrahydro-2h-pyran-2-one
CID 9920376
(S)-4-Methyltetrahydro-2H-pyran-2-one
CID 11789172
(S)-3-Ethyl-gamma-butyrolactone
CID 57939696
(1R,5S,6R)-3-oxabicyclo(3.1.0)hexane-6-carbaldehyde
CID 58501772
4-Ethyltetrahydro-2H-pyran-2-one
CID 10486872
Rac-(1R,5S)-3-oxabicyclo[3.1.0]hexan-2-one
CID 10898651
ethyl (1S,5R)-6-fluoro-3-oxabicyclo[3.1.0]hexane-6-carboxylate
CID 134933579

Frequently Asked Questions

What is the IUPAC name of (1R,5S,6R)-6-methyl-3-oxabicyclo[3.1.0]hexan-2-one?
The IUPAC name of (1R,5S,6R)-6-methyl-3-oxabicyclo[3.1.0]hexan-2-one (CID 11343999) is (1R,5S,6R)-6-methyl-3-oxabicyclo[3.1.0]hexan-2-one.
What is the SMILES notation for (1R,5S,6R)-6-methyl-3-oxabicyclo[3.1.0]hexan-2-one?
The canonical SMILES for (1R,5S,6R)-6-methyl-3-oxabicyclo[3.1.0]hexan-2-one is C[C@@H]1[C@@H]2COC(=O)[C@H]12.
What is the InChIKey of (1R,5S,6R)-6-methyl-3-oxabicyclo[3.1.0]hexan-2-one?
The InChIKey is ODZSNSOKRZBPDY-MROZADKFSA-N. The full InChI is InChI=1S/C6H8O2/c1-3-4-2-8-6(7)5(3)4/h3-5H,2H2,1H3/t3-,4+,5-/m1/s1.
What are the key properties of (1R,5S,6R)-6-methyl-3-oxabicyclo[3.1.0]hexan-2-one?
(1R,5S,6R)-6-methyl-3-oxabicyclo[3.1.0]hexan-2-one has a molecular weight of 112.13 g/mol, XLogP of 0.43, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S,6R)-6-methyl-3-oxabicyclo[3.1.0]hexan-2-one is sourced from PubChem (CID 11343999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).