2-methyl-2-(prop-1-en-2-yloxymethyl)oxirane

C7H12O2 — CID 122683288

IUPAC2-methyl-2-(prop-1-en-2-yloxymethyl)oxirane
SMILESC=C(C)OCC1(C)CO1
InChIInChI=1S/C7H12O2/c1-6(2)8-4-7(3)5-9-7/h1,4-5H2,2-3H3
InChIKeyAAKWSKCLCBYCQL-UHFFFAOYSA-N
MW128.17 g/mol
LogP1.33
Rot. Bonds3

About 2-methyl-2-(prop-1-en-2-yloxymethyl)oxirane

2-methyl-2-(prop-1-en-2-yloxymethyl)oxirane (PubChem CID 122683288) has the molecular formula C7H12O2 and a molecular weight of 128.17 g/mol. Its IUPAC name is 2-methyl-2-(prop-1-en-2-yloxymethyl)oxirane.

Molecular Properties

Compound Name2-methyl-2-(prop-1-en-2-yloxymethyl)oxirane
PubChem CID122683288
Molecular FormulaC7H12O2
Molecular Weight128.17 g/mol
Exact Mass128.08
IUPAC Name2-methyl-2-(prop-1-en-2-yloxymethyl)oxirane
SMILESC=C(C)OCC1(C)CO1
InChIInChI=1S/C7H12O2/c1-6(2)8-4-7(3)5-9-7/h1,4-5H2,2-3H3
InChIKeyAAKWSKCLCBYCQL-UHFFFAOYSA-N
XLogP1.33
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 2-methyl-2-(prop-1-en-2-yloxymethyl)oxirane 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-yloxymethyl)oxirane?
The IUPAC name of 2-methyl-2-(prop-1-en-2-yloxymethyl)oxirane (CID 122683288) is 2-methyl-2-(prop-1-en-2-yloxymethyl)oxirane.
What is the SMILES notation for 2-methyl-2-(prop-1-en-2-yloxymethyl)oxirane?
The canonical SMILES for 2-methyl-2-(prop-1-en-2-yloxymethyl)oxirane is C=C(C)OCC1(C)CO1.
What is the InChIKey of 2-methyl-2-(prop-1-en-2-yloxymethyl)oxirane?
The InChIKey is AAKWSKCLCBYCQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O2/c1-6(2)8-4-7(3)5-9-7/h1,4-5H2,2-3H3.
What are the key properties of 2-methyl-2-(prop-1-en-2-yloxymethyl)oxirane?
2-methyl-2-(prop-1-en-2-yloxymethyl)oxirane has a molecular weight of 128.17 g/mol, XLogP of 1.33, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(prop-1-en-2-yloxymethyl)oxirane is sourced from PubChem (CID 122683288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).