2-[2,4-bis(oxiran-2-yl)cyclopentyl]oxirane

C11H16O3 — CID 90112010

IUPAC2-[2,4-bis(oxiran-2-yl)cyclopentyl]oxirane
SMILESC1OC1C1CC(C2CO2)C(C2CO2)C1
InChIInChI=1S/C11H16O3/c1-6(9-3-12-9)2-8(11-5-14-11)7(1)10-4-13-10/h6-11H,1-5H2
InChIKeyUNNXTLWDNSLXQA-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.83
Rot. Bonds3

About 2-[2,4-bis(oxiran-2-yl)cyclopentyl]oxirane

2-[2,4-bis(oxiran-2-yl)cyclopentyl]oxirane (PubChem CID 90112010) has the molecular formula C11H16O3 and a molecular weight of 196.25 g/mol. Its IUPAC name is 2-[2,4-bis(oxiran-2-yl)cyclopentyl]oxirane.

Molecular Properties

Compound Name2-[2,4-bis(oxiran-2-yl)cyclopentyl]oxirane
PubChem CID90112010
Molecular FormulaC11H16O3
Molecular Weight196.25 g/mol
Exact Mass196.11
IUPAC Name2-[2,4-bis(oxiran-2-yl)cyclopentyl]oxirane
SMILESC1OC1C1CC(C2CO2)C(C2CO2)C1
InChIInChI=1S/C11H16O3/c1-6(9-3-12-9)2-8(11-5-14-11)7(1)10-4-13-10/h6-11H,1-5H2
InChIKeyUNNXTLWDNSLXQA-UHFFFAOYSA-N
XLogP0.83
TPSA37.59 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[2,4-bis(oxiran-2-yl)cyclopentyl]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-[2,4-bis(oxiran-2-yl)cyclopentyl]oxirane?
The IUPAC name of 2-[2,4-bis(oxiran-2-yl)cyclopentyl]oxirane (CID 90112010) is 2-[2,4-bis(oxiran-2-yl)cyclopentyl]oxirane.
What is the SMILES notation for 2-[2,4-bis(oxiran-2-yl)cyclopentyl]oxirane?
The canonical SMILES for 2-[2,4-bis(oxiran-2-yl)cyclopentyl]oxirane is C1OC1C1CC(C2CO2)C(C2CO2)C1.
What is the InChIKey of 2-[2,4-bis(oxiran-2-yl)cyclopentyl]oxirane?
The InChIKey is UNNXTLWDNSLXQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O3/c1-6(9-3-12-9)2-8(11-5-14-11)7(1)10-4-13-10/h6-11H,1-5H2.
What are the key properties of 2-[2,4-bis(oxiran-2-yl)cyclopentyl]oxirane?
2-[2,4-bis(oxiran-2-yl)cyclopentyl]oxirane has a molecular weight of 196.25 g/mol, XLogP of 0.83, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,4-bis(oxiran-2-yl)cyclopentyl]oxirane is sourced from PubChem (CID 90112010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).