2-(cyclohexylmethoxymethyl)oxirane

C10H18O2 — CID 11435189

IUPAC2-(cyclohexylmethoxymethyl)oxirane
SMILESC1CCC(COCC2CO2)CC1
InChIInChI=1S/C10H18O2/c1-2-4-9(5-3-1)6-11-7-10-8-12-10/h9-10H,1-8H2
InChIKeyPMOICAZNVGOHHP-UHFFFAOYSA-N
MW170.25 g/mol
LogP1.98
Rot. Bonds4

About 2-(cyclohexylmethoxymethyl)oxirane

2-(cyclohexylmethoxymethyl)oxirane (PubChem CID 11435189) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 2-(cyclohexylmethoxymethyl)oxirane.

Molecular Properties

Compound Name2-(cyclohexylmethoxymethyl)oxirane
PubChem CID11435189
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name2-(cyclohexylmethoxymethyl)oxirane
SMILESC1CCC(COCC2CO2)CC1
InChIInChI=1S/C10H18O2/c1-2-4-9(5-3-1)6-11-7-10-8-12-10/h9-10H,1-8H2
InChIKeyPMOICAZNVGOHHP-UHFFFAOYSA-N
XLogP1.98
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(cyclohexylmethoxymethyl)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-(cyclohexylmethoxymethyl)oxirane?
The IUPAC name of 2-(cyclohexylmethoxymethyl)oxirane (CID 11435189) is 2-(cyclohexylmethoxymethyl)oxirane.
What is the SMILES notation for 2-(cyclohexylmethoxymethyl)oxirane?
The canonical SMILES for 2-(cyclohexylmethoxymethyl)oxirane is C1CCC(COCC2CO2)CC1.
What is the InChIKey of 2-(cyclohexylmethoxymethyl)oxirane?
The InChIKey is PMOICAZNVGOHHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-2-4-9(5-3-1)6-11-7-10-8-12-10/h9-10H,1-8H2.
What are the key properties of 2-(cyclohexylmethoxymethyl)oxirane?
2-(cyclohexylmethoxymethyl)oxirane has a molecular weight of 170.25 g/mol, XLogP of 1.98, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylmethoxymethyl)oxirane is sourced from PubChem (CID 11435189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).