1,2-dimethyl-6-oxabicyclo[3.1.0]hexane

C7H12O — CID 12668625

IUPAC1,2-dimethyl-6-oxabicyclo[3.1.0]hexane
SMILESCC1CCC2OC12C
InChIInChI=1S/C7H12O/c1-5-3-4-6-7(5,2)8-6/h5-6H,3-4H2,1-2H3
InChIKeyYJLSEXVTALMPND-UHFFFAOYSA-N
MW112.17 g/mol
LogP1.57
Rot. Bonds

About 1,2-dimethyl-6-oxabicyclo[3.1.0]hexane

1,2-dimethyl-6-oxabicyclo[3.1.0]hexane (PubChem CID 12668625) has the molecular formula C7H12O and a molecular weight of 112.17 g/mol. Its IUPAC name is 1,2-dimethyl-6-oxabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name1,2-dimethyl-6-oxabicyclo[3.1.0]hexane
PubChem CID12668625
Molecular FormulaC7H12O
Molecular Weight112.17 g/mol
Exact Mass112.09
IUPAC Name1,2-dimethyl-6-oxabicyclo[3.1.0]hexane
SMILESCC1CCC2OC12C
InChIInChI=1S/C7H12O/c1-5-3-4-6-7(5,2)8-6/h5-6H,3-4H2,1-2H3
InChIKeyYJLSEXVTALMPND-UHFFFAOYSA-N
XLogP1.57
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.17
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-Methyl-6-oxabicyclo(3.1.0)hexane
CID 4250936
2-Methyl-6-oxabicyclo[3.1.0]hexane
CID 12397138
1,5-Dimethyl-6-oxa-bicyclo(3.1.0)hexane
CID 537593
rac-(1R,5S)-1-methyl-6-oxabicyclo(3.1.0)hexane
CID 92179487
1-Ethyl-6-oxabicyclo[3.1.0]hexane
CID 12400482
2-Fluoro-4-methyl-6-oxabicyclo[3.1.0]hexane
CID 156244824
4-Methyl-cyclopentene oxide
CID 59962582
(1R,2R,5S)-1,2-dimethyl-6-oxabicyclo[3.1.0]hexane
CID 134995595
(1R,2S,5S)-1,2-dimethyl-6-oxabicyclo[3.1.0]hexane
CID 134995768
(1R,2R,5R)-2-fluoro-1,2-dimethyl-6-oxabicyclo[3.1.0]hexane
CID 177530680
(1R,2S,5R)-2-fluoro-1,2-dimethyl-6-oxabicyclo[3.1.0]hexane
CID 177574092
(1R,5S)-1-methyl-6-oxabicyclo[3.1.0]hexane
CID 12273491

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-6-oxabicyclo[3.1.0]hexane?
The IUPAC name of 1,2-dimethyl-6-oxabicyclo[3.1.0]hexane (CID 12668625) is 1,2-dimethyl-6-oxabicyclo[3.1.0]hexane.
What is the SMILES notation for 1,2-dimethyl-6-oxabicyclo[3.1.0]hexane?
The canonical SMILES for 1,2-dimethyl-6-oxabicyclo[3.1.0]hexane is CC1CCC2OC12C.
What is the InChIKey of 1,2-dimethyl-6-oxabicyclo[3.1.0]hexane?
The InChIKey is YJLSEXVTALMPND-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O/c1-5-3-4-6-7(5,2)8-6/h5-6H,3-4H2,1-2H3.
What are the key properties of 1,2-dimethyl-6-oxabicyclo[3.1.0]hexane?
1,2-dimethyl-6-oxabicyclo[3.1.0]hexane has a molecular weight of 112.17 g/mol, XLogP of 1.57, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-6-oxabicyclo[3.1.0]hexane is sourced from PubChem (CID 12668625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).