2-methyloxirane;prop-1-ene

C6H12O — CID 19774959

IUPAC2-methyloxirane;prop-1-ene
SMILESC=CC.CC1CO1
InChIInChI=1S/C3H6O.C3H6/c1-3-2-4-3;1-3-2/h3H,2H2,1H3;3H,1H2,2H3
InChIKeyJHZRQBKLEHQTKF-UHFFFAOYSA-N
MW100.16 g/mol
LogP1.60
Rot. Bonds

About 2-methyloxirane;prop-1-ene

2-methyloxirane;prop-1-ene (PubChem CID 19774959) has the molecular formula C6H12O and a molecular weight of 100.16 g/mol. Its IUPAC name is 2-methyloxirane;prop-1-ene.

Molecular Properties

Compound Name2-methyloxirane;prop-1-ene
PubChem CID19774959
Molecular FormulaC6H12O
Molecular Weight100.16 g/mol
Exact Mass100.09
IUPAC Name2-methyloxirane;prop-1-ene
SMILESC=CC.CC1CO1
InChIInChI=1S/C3H6O.C3H6/c1-3-2-4-3;1-3-2/h3H,2H2,1H3;3H,1H2,2H3
InChIKeyJHZRQBKLEHQTKF-UHFFFAOYSA-N
XLogP1.60
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.16
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyloxirane;prop-1-ene?
The IUPAC name of 2-methyloxirane;prop-1-ene (CID 19774959) is 2-methyloxirane;prop-1-ene.
What is the SMILES notation for 2-methyloxirane;prop-1-ene?
The canonical SMILES for 2-methyloxirane;prop-1-ene is C=CC.CC1CO1.
What is the InChIKey of 2-methyloxirane;prop-1-ene?
The InChIKey is JHZRQBKLEHQTKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6O.C3H6/c1-3-2-4-3;1-3-2/h3H,2H2,1H3;3H,1H2,2H3.
What are the key properties of 2-methyloxirane;prop-1-ene?
2-methyloxirane;prop-1-ene has a molecular weight of 100.16 g/mol, XLogP of 1.60, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyloxirane;prop-1-ene is sourced from PubChem (CID 19774959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).