2-[2-[1-(oxiran-2-yl)butan-2-yloxy]butyl]oxirane

C12H22O3 — CID 22134025

IUPAC2-[2-[1-(oxiran-2-yl)butan-2-yloxy]butyl]oxirane
SMILESCCC(CC1CO1)OC(CC)CC1CO1
InChIInChI=1S/C12H22O3/c1-3-9(5-11-7-13-11)15-10(4-2)6-12-8-14-12/h9-12H,3-8H2,1-2H3
InChIKeyPVAKLFYSIYEINT-UHFFFAOYSA-N
MW214.30 g/mol
LogP2.14
Rot. Bonds8

About 2-[2-[1-(oxiran-2-yl)butan-2-yloxy]butyl]oxirane

2-[2-[1-(oxiran-2-yl)butan-2-yloxy]butyl]oxirane (PubChem CID 22134025) has the molecular formula C12H22O3 and a molecular weight of 214.30 g/mol. Its IUPAC name is 2-[2-[1-(oxiran-2-yl)butan-2-yloxy]butyl]oxirane.

Molecular Properties

Compound Name2-[2-[1-(oxiran-2-yl)butan-2-yloxy]butyl]oxirane
PubChem CID22134025
Molecular FormulaC12H22O3
Molecular Weight214.30 g/mol
Exact Mass214.16
IUPAC Name2-[2-[1-(oxiran-2-yl)butan-2-yloxy]butyl]oxirane
SMILESCCC(CC1CO1)OC(CC)CC1CO1
InChIInChI=1S/C12H22O3/c1-3-9(5-11-7-13-11)15-10(4-2)6-12-8-14-12/h9-12H,3-8H2,1-2H3
InChIKeyPVAKLFYSIYEINT-UHFFFAOYSA-N
XLogP2.14
TPSA34.29 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.30
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[2-[1-(oxiran-2-yl)butan-2-yloxy]butyl]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-[1-(oxiran-2-yl)butan-2-yloxy]butyl]oxirane?
The IUPAC name of 2-[2-[1-(oxiran-2-yl)butan-2-yloxy]butyl]oxirane (CID 22134025) is 2-[2-[1-(oxiran-2-yl)butan-2-yloxy]butyl]oxirane.
What is the SMILES notation for 2-[2-[1-(oxiran-2-yl)butan-2-yloxy]butyl]oxirane?
The canonical SMILES for 2-[2-[1-(oxiran-2-yl)butan-2-yloxy]butyl]oxirane is CCC(CC1CO1)OC(CC)CC1CO1.
What is the InChIKey of 2-[2-[1-(oxiran-2-yl)butan-2-yloxy]butyl]oxirane?
The InChIKey is PVAKLFYSIYEINT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O3/c1-3-9(5-11-7-13-11)15-10(4-2)6-12-8-14-12/h9-12H,3-8H2,1-2H3.
What are the key properties of 2-[2-[1-(oxiran-2-yl)butan-2-yloxy]butyl]oxirane?
2-[2-[1-(oxiran-2-yl)butan-2-yloxy]butyl]oxirane has a molecular weight of 214.30 g/mol, XLogP of 2.14, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[1-(oxiran-2-yl)butan-2-yloxy]butyl]oxirane is sourced from PubChem (CID 22134025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).