2-methyloxirane

C3H6O — CID 6378

IUPAC2-methyloxirane
SMILESCC1CO1
InChIInChI=1S/C3H6O/c1-3-2-4-3/h3H,2H2,1H3
InChIKeyGOOHAUXETOMSMM-UHFFFAOYSA-N
MW58.08 g/mol
LogP0.41
Rot. Bonds

About 2-methyloxirane

2-methyloxirane (PubChem CID 6378) has the molecular formula C3H6O and a molecular weight of 58.08 g/mol. Its IUPAC name is 2-methyloxirane.

Molecular Properties

Compound Name2-methyloxirane
PubChem CID6378
Molecular FormulaC3H6O
Molecular Weight58.08 g/mol
Exact Mass58.04
IUPAC Name2-methyloxirane
SMILESCC1CO1
InChIInChI=1S/C3H6O/c1-3-2-4-3/h3H,2H2,1H3
InChIKeyGOOHAUXETOMSMM-UHFFFAOYSA-N
XLogP0.41
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50058.08
LogP ≤ 50.41
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 2-methyloxirane?
The IUPAC name of 2-methyloxirane (CID 6378) is 2-methyloxirane.
What is the SMILES notation for 2-methyloxirane?
The canonical SMILES for 2-methyloxirane is CC1CO1.
What is the InChIKey of 2-methyloxirane?
The InChIKey is GOOHAUXETOMSMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6O/c1-3-2-4-3/h3H,2H2,1H3.
What are the key properties of 2-methyloxirane?
2-methyloxirane has a molecular weight of 58.08 g/mol, XLogP of 0.41, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyloxirane is sourced from PubChem (CID 6378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).