(1R)-1-methyl-2-oxabicyclo[1.1.0]butane

C4H6O — CID 173021460

IUPAC(1R)-1-methyl-2-oxabicyclo[1.1.0]butane
SMILESC[C@@]12CC1O2
InChIInChI=1S/C4H6O/c1-4-2-3(4)5-4/h3H,2H2,1H3/t3?,4-/m1/s1
InChIKeyZVYJNPSDGBUKFI-SRBOSORUSA-N
MW70.09 g/mol
LogP0.55
Rot. Bonds

About (1R)-1-methyl-2-oxabicyclo[1.1.0]butane

(1R)-1-methyl-2-oxabicyclo[1.1.0]butane (PubChem CID 173021460) has the molecular formula C4H6O and a molecular weight of 70.09 g/mol. Its IUPAC name is (1R)-1-methyl-2-oxabicyclo[1.1.0]butane.

Molecular Properties

Compound Name(1R)-1-methyl-2-oxabicyclo[1.1.0]butane
PubChem CID173021460
Molecular FormulaC4H6O
Molecular Weight70.09 g/mol
Exact Mass70.04
IUPAC Name(1R)-1-methyl-2-oxabicyclo[1.1.0]butane
SMILESC[C@@]12CC1O2
InChIInChI=1S/C4H6O/c1-4-2-3(4)5-4/h3H,2H2,1H3/t3?,4-/m1/s1
InChIKeyZVYJNPSDGBUKFI-SRBOSORUSA-N
XLogP0.55
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50070.09
LogP ≤ 50.55
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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Frequently Asked Questions

What is the IUPAC name of (1R)-1-methyl-2-oxabicyclo[1.1.0]butane?
The IUPAC name of (1R)-1-methyl-2-oxabicyclo[1.1.0]butane (CID 173021460) is (1R)-1-methyl-2-oxabicyclo[1.1.0]butane.
What is the SMILES notation for (1R)-1-methyl-2-oxabicyclo[1.1.0]butane?
The canonical SMILES for (1R)-1-methyl-2-oxabicyclo[1.1.0]butane is C[C@@]12CC1O2.
What is the InChIKey of (1R)-1-methyl-2-oxabicyclo[1.1.0]butane?
The InChIKey is ZVYJNPSDGBUKFI-SRBOSORUSA-N. The full InChI is InChI=1S/C4H6O/c1-4-2-3(4)5-4/h3H,2H2,1H3/t3?,4-/m1/s1.
What are the key properties of (1R)-1-methyl-2-oxabicyclo[1.1.0]butane?
(1R)-1-methyl-2-oxabicyclo[1.1.0]butane has a molecular weight of 70.09 g/mol, XLogP of 0.55, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-methyl-2-oxabicyclo[1.1.0]butane is sourced from PubChem (CID 173021460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).