1-methyl-2-oxabicyclo[2.2.0]hexane

C6H10O — CID 119098021

IUPAC1-methyl-2-oxabicyclo[2.2.0]hexane
SMILESCC12CCC1CO2
InChIInChI=1S/C6H10O/c1-6-3-2-5(6)4-7-6/h5H,2-4H2,1H3
InChIKeyGLWMCRVKJWDRRC-UHFFFAOYSA-N
MW98.15 g/mol
LogP1.19
Rot. Bonds

About 1-methyl-2-oxabicyclo[2.2.0]hexane

1-methyl-2-oxabicyclo[2.2.0]hexane (PubChem CID 119098021) has the molecular formula C6H10O and a molecular weight of 98.15 g/mol. Its IUPAC name is 1-methyl-2-oxabicyclo[2.2.0]hexane.

Molecular Properties

Compound Name1-methyl-2-oxabicyclo[2.2.0]hexane
PubChem CID119098021
Molecular FormulaC6H10O
Molecular Weight98.15 g/mol
Exact Mass98.07
IUPAC Name1-methyl-2-oxabicyclo[2.2.0]hexane
SMILESCC12CCC1CO2
InChIInChI=1S/C6H10O/c1-6-3-2-5(6)4-7-6/h5H,2-4H2,1H3
InChIKeyGLWMCRVKJWDRRC-UHFFFAOYSA-N
XLogP1.19
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.15
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 11469119
8a-methyl-2,3,4,4a,5,6,7,8-octahydrochromene
CID 58800826
(3aR,7aS)-7a-methyl-3,3a,4,5,6,7-hexahydro-2H-1-benzofuran
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(2R)-2-cyclohexyl-2-methyloxirane
CID 101039402
(1S,4R)-1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-6-ol
CID 101389805
5,7,7-trimethyl-6-oxabicyclo[3.2.2]nonan-4-ol
CID 13423312
(5S)-1-methylbicyclo[3.2.0]heptane
CID 142053045
(1S,2S,5R)-1-ethoxy-2-ethyl-2-methyl-3-oxabicyclo[3.2.0]heptane
CID 10241501
(4S,5R)-1-methyl-7-methylsulfanyl-2-oxa-6-azabicyclo[3.2.2]nonan-4-ol
CID 131974824
9,9-dimethyl-3-oxabicyclo[3.3.1]nonane
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1,3,3-trimethyl-2-oxabicyclo[2.2.2]octane
CID 2758

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-oxabicyclo[2.2.0]hexane?
The IUPAC name of 1-methyl-2-oxabicyclo[2.2.0]hexane (CID 119098021) is 1-methyl-2-oxabicyclo[2.2.0]hexane.
What is the SMILES notation for 1-methyl-2-oxabicyclo[2.2.0]hexane?
The canonical SMILES for 1-methyl-2-oxabicyclo[2.2.0]hexane is CC12CCC1CO2.
What is the InChIKey of 1-methyl-2-oxabicyclo[2.2.0]hexane?
The InChIKey is GLWMCRVKJWDRRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O/c1-6-3-2-5(6)4-7-6/h5H,2-4H2,1H3.
What are the key properties of 1-methyl-2-oxabicyclo[2.2.0]hexane?
1-methyl-2-oxabicyclo[2.2.0]hexane has a molecular weight of 98.15 g/mol, XLogP of 1.19, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-oxabicyclo[2.2.0]hexane is sourced from PubChem (CID 119098021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).