2-[(1-ethylcyclohexyl)oxymethyl]oxirane

C11H20O2 — CID 19817909

IUPAC2-[(1-ethylcyclohexyl)oxymethyl]oxirane
SMILESCCC1(OCC2CO2)CCCCC1
InChIInChI=1S/C11H20O2/c1-2-11(6-4-3-5-7-11)13-9-10-8-12-10/h10H,2-9H2,1H3
InChIKeyOTJNKZJKRCRBLE-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.51
Rot. Bonds4

About 2-[(1-ethylcyclohexyl)oxymethyl]oxirane

2-[(1-ethylcyclohexyl)oxymethyl]oxirane (PubChem CID 19817909) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 2-[(1-ethylcyclohexyl)oxymethyl]oxirane.

Molecular Properties

Compound Name2-[(1-ethylcyclohexyl)oxymethyl]oxirane
PubChem CID19817909
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name2-[(1-ethylcyclohexyl)oxymethyl]oxirane
SMILESCCC1(OCC2CO2)CCCCC1
InChIInChI=1S/C11H20O2/c1-2-11(6-4-3-5-7-11)13-9-10-8-12-10/h10H,2-9H2,1H3
InChIKeyOTJNKZJKRCRBLE-UHFFFAOYSA-N
XLogP2.51
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[(1-ethylcyclohexyl)oxymethyl]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-ethylcyclohexyl)oxymethyl]oxirane?
The IUPAC name of 2-[(1-ethylcyclohexyl)oxymethyl]oxirane (CID 19817909) is 2-[(1-ethylcyclohexyl)oxymethyl]oxirane.
What is the SMILES notation for 2-[(1-ethylcyclohexyl)oxymethyl]oxirane?
The canonical SMILES for 2-[(1-ethylcyclohexyl)oxymethyl]oxirane is CCC1(OCC2CO2)CCCCC1.
What is the InChIKey of 2-[(1-ethylcyclohexyl)oxymethyl]oxirane?
The InChIKey is OTJNKZJKRCRBLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-2-11(6-4-3-5-7-11)13-9-10-8-12-10/h10H,2-9H2,1H3.
What are the key properties of 2-[(1-ethylcyclohexyl)oxymethyl]oxirane?
2-[(1-ethylcyclohexyl)oxymethyl]oxirane has a molecular weight of 184.28 g/mol, XLogP of 2.51, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-ethylcyclohexyl)oxymethyl]oxirane is sourced from PubChem (CID 19817909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).