2-[1-(oxiran-2-yl)propan-2-yl]oxirane

C7H12O2 — CID 21359602

IUPAC2-[1-(oxiran-2-yl)propan-2-yl]oxirane
SMILESCC(CC1CO1)C1CO1
InChIInChI=1S/C7H12O2/c1-5(7-4-9-7)2-6-3-8-6/h5-7H,2-4H2,1H3
InChIKeyGGOPVDNMINSKAZ-UHFFFAOYSA-N
MW128.17 g/mol
LogP0.81
Rot. Bonds3

About 2-[1-(oxiran-2-yl)propan-2-yl]oxirane

2-[1-(oxiran-2-yl)propan-2-yl]oxirane (PubChem CID 21359602) has the molecular formula C7H12O2 and a molecular weight of 128.17 g/mol. Its IUPAC name is 2-[1-(oxiran-2-yl)propan-2-yl]oxirane.

Molecular Properties

Compound Name2-[1-(oxiran-2-yl)propan-2-yl]oxirane
PubChem CID21359602
Molecular FormulaC7H12O2
Molecular Weight128.17 g/mol
Exact Mass128.08
IUPAC Name2-[1-(oxiran-2-yl)propan-2-yl]oxirane
SMILESCC(CC1CO1)C1CO1
InChIInChI=1S/C7H12O2/c1-5(7-4-9-7)2-6-3-8-6/h5-7H,2-4H2,1H3
InChIKeyGGOPVDNMINSKAZ-UHFFFAOYSA-N
XLogP0.81
TPSA25.06 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 ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[1-(oxiran-2-yl)propan-2-yl]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-[1-(oxiran-2-yl)propan-2-yl]oxirane?
The IUPAC name of 2-[1-(oxiran-2-yl)propan-2-yl]oxirane (CID 21359602) is 2-[1-(oxiran-2-yl)propan-2-yl]oxirane.
What is the SMILES notation for 2-[1-(oxiran-2-yl)propan-2-yl]oxirane?
The canonical SMILES for 2-[1-(oxiran-2-yl)propan-2-yl]oxirane is CC(CC1CO1)C1CO1.
What is the InChIKey of 2-[1-(oxiran-2-yl)propan-2-yl]oxirane?
The InChIKey is GGOPVDNMINSKAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O2/c1-5(7-4-9-7)2-6-3-8-6/h5-7H,2-4H2,1H3.
What are the key properties of 2-[1-(oxiran-2-yl)propan-2-yl]oxirane?
2-[1-(oxiran-2-yl)propan-2-yl]oxirane has a molecular weight of 128.17 g/mol, XLogP of 0.81, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(oxiran-2-yl)propan-2-yl]oxirane is sourced from PubChem (CID 21359602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).