3-methyl-2-oxabicyclo[4.1.0]heptane

C7H12O — CID 145003683

IUPAC3-methyl-2-oxabicyclo[4.1.0]heptane
SMILESCC1CCC2CC2O1
InChIInChI=1S/C7H12O/c1-5-2-3-6-4-7(6)8-5/h5-7H,2-4H2,1H3
InChIKeyPCZCCSRKEUYPTR-UHFFFAOYSA-N
MW112.17 g/mol
LogP1.57
Rot. Bonds

About 3-methyl-2-oxabicyclo[4.1.0]heptane

3-methyl-2-oxabicyclo[4.1.0]heptane (PubChem CID 145003683) has the molecular formula C7H12O and a molecular weight of 112.17 g/mol. Its IUPAC name is 3-methyl-2-oxabicyclo[4.1.0]heptane.

Molecular Properties

Compound Name3-methyl-2-oxabicyclo[4.1.0]heptane
PubChem CID145003683
Molecular FormulaC7H12O
Molecular Weight112.17 g/mol
Exact Mass112.09
IUPAC Name3-methyl-2-oxabicyclo[4.1.0]heptane
SMILESCC1CCC2CC2O1
InChIInChI=1S/C7H12O/c1-5-2-3-6-4-7(6)8-5/h5-7H,2-4H2,1H3
InChIKeyPCZCCSRKEUYPTR-UHFFFAOYSA-N
XLogP1.57
TPSA9.23 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

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-oxabicyclo[4.1.0]heptane?
The IUPAC name of 3-methyl-2-oxabicyclo[4.1.0]heptane (CID 145003683) is 3-methyl-2-oxabicyclo[4.1.0]heptane.
What is the SMILES notation for 3-methyl-2-oxabicyclo[4.1.0]heptane?
The canonical SMILES for 3-methyl-2-oxabicyclo[4.1.0]heptane is CC1CCC2CC2O1.
What is the InChIKey of 3-methyl-2-oxabicyclo[4.1.0]heptane?
The InChIKey is PCZCCSRKEUYPTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O/c1-5-2-3-6-4-7(6)8-5/h5-7H,2-4H2,1H3.
What are the key properties of 3-methyl-2-oxabicyclo[4.1.0]heptane?
3-methyl-2-oxabicyclo[4.1.0]heptane 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 3-methyl-2-oxabicyclo[4.1.0]heptane is sourced from PubChem (CID 145003683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).