4-(oxiran-2-ylmethyl)oxane

C8H14O2 — CID 5324170

IUPAC4-(oxiran-2-ylmethyl)oxane
SMILESC1CC(CC2CO2)CCO1
InChIInChI=1S/C8H14O2/c1-3-9-4-2-7(1)5-8-6-10-8/h7-8H,1-6H2
InChIKeyPNHQRIYJWXENJW-UHFFFAOYSA-N
MW142.20 g/mol
LogP1.20
Rot. Bonds2

About 4-(oxiran-2-ylmethyl)oxane

4-(oxiran-2-ylmethyl)oxane (PubChem CID 5324170) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is 4-(oxiran-2-ylmethyl)oxane.

Molecular Properties

Compound Name4-(oxiran-2-ylmethyl)oxane
PubChem CID5324170
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name4-(oxiran-2-ylmethyl)oxane
SMILESC1CC(CC2CO2)CCO1
InChIInChI=1S/C8H14O2/c1-3-9-4-2-7(1)5-8-6-10-8/h7-8H,1-6H2
InChIKeyPNHQRIYJWXENJW-UHFFFAOYSA-N
XLogP1.20
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(oxiran-2-ylmethyl)oxane 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 4-(oxiran-2-ylmethyl)oxane?
The IUPAC name of 4-(oxiran-2-ylmethyl)oxane (CID 5324170) is 4-(oxiran-2-ylmethyl)oxane.
What is the SMILES notation for 4-(oxiran-2-ylmethyl)oxane?
The canonical SMILES for 4-(oxiran-2-ylmethyl)oxane is C1CC(CC2CO2)CCO1.
What is the InChIKey of 4-(oxiran-2-ylmethyl)oxane?
The InChIKey is PNHQRIYJWXENJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2/c1-3-9-4-2-7(1)5-8-6-10-8/h7-8H,1-6H2.
What are the key properties of 4-(oxiran-2-ylmethyl)oxane?
4-(oxiran-2-ylmethyl)oxane has a molecular weight of 142.20 g/mol, XLogP of 1.20, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxiran-2-ylmethyl)oxane is sourced from PubChem (CID 5324170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).