2-methyl-2-prop-1-en-2-yloxirane

C6H10O — CID 12522356

IUPAC2-methyl-2-prop-1-en-2-yloxirane
SMILESC=C(C)C1(C)CO1
InChIInChI=1S/C6H10O/c1-5(2)6(3)4-7-6/h1,4H2,2-3H3
InChIKeyPFMOZGXOYLJJAO-UHFFFAOYSA-N
MW98.14 g/mol
LogP1.35
Rot. Bonds1

About 2-methyl-2-prop-1-en-2-yloxirane

2-methyl-2-prop-1-en-2-yloxirane (PubChem CID 12522356) has the molecular formula C6H10O and a molecular weight of 98.14 g/mol. Its IUPAC name is 2-methyl-2-prop-1-en-2-yloxirane.

Molecular Properties

Compound Name2-methyl-2-prop-1-en-2-yloxirane
PubChem CID12522356
Molecular FormulaC6H10O
Molecular Weight98.14 g/mol
Exact Mass98.07
IUPAC Name2-methyl-2-prop-1-en-2-yloxirane
SMILESC=C(C)C1(C)CO1
InChIInChI=1S/C6H10O/c1-5(2)6(3)4-7-6/h1,4H2,2-3H3
InChIKeyPFMOZGXOYLJJAO-UHFFFAOYSA-N
XLogP1.35
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.14
LogP ≤ 51.35
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'}

Analyze 2-methyl-2-prop-1-en-2-yloxirane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-prop-1-en-2-yloxirane?
The IUPAC name of 2-methyl-2-prop-1-en-2-yloxirane (CID 12522356) is 2-methyl-2-prop-1-en-2-yloxirane.
What is the SMILES notation for 2-methyl-2-prop-1-en-2-yloxirane?
The canonical SMILES for 2-methyl-2-prop-1-en-2-yloxirane is C=C(C)C1(C)CO1.
What is the InChIKey of 2-methyl-2-prop-1-en-2-yloxirane?
The InChIKey is PFMOZGXOYLJJAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O/c1-5(2)6(3)4-7-6/h1,4H2,2-3H3.
What are the key properties of 2-methyl-2-prop-1-en-2-yloxirane?
2-methyl-2-prop-1-en-2-yloxirane has a molecular weight of 98.14 g/mol, XLogP of 1.35, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-prop-1-en-2-yloxirane is sourced from PubChem (CID 12522356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).