2-[(2-ethylcyclohexyl)oxymethyl]oxirane

C11H20O2 — CID 24704778

IUPAC2-[(2-ethylcyclohexyl)oxymethyl]oxirane
SMILESCCC1CCCCC1OCC1CO1
InChIInChI=1S/C11H20O2/c1-2-9-5-3-4-6-11(9)13-8-10-7-12-10/h9-11H,2-8H2,1H3
InChIKeyHJNDMZXMHCYYHB-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.37
Rot. Bonds4

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

2-[(2-ethylcyclohexyl)oxymethyl]oxirane (PubChem CID 24704778) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 2-[(2-ethylcyclohexyl)oxymethyl]oxirane.

Molecular Properties

Compound Name2-[(2-ethylcyclohexyl)oxymethyl]oxirane
PubChem CID24704778
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name2-[(2-ethylcyclohexyl)oxymethyl]oxirane
SMILESCCC1CCCCC1OCC1CO1
InChIInChI=1S/C11H20O2/c1-2-9-5-3-4-6-11(9)13-8-10-7-12-10/h9-11H,2-8H2,1H3
InChIKeyHJNDMZXMHCYYHB-UHFFFAOYSA-N
XLogP2.37
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 ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethylcyclohexyl)oxymethyl]oxirane?
The IUPAC name of 2-[(2-ethylcyclohexyl)oxymethyl]oxirane (CID 24704778) is 2-[(2-ethylcyclohexyl)oxymethyl]oxirane.
What is the SMILES notation for 2-[(2-ethylcyclohexyl)oxymethyl]oxirane?
The canonical SMILES for 2-[(2-ethylcyclohexyl)oxymethyl]oxirane is CCC1CCCCC1OCC1CO1.
What is the InChIKey of 2-[(2-ethylcyclohexyl)oxymethyl]oxirane?
The InChIKey is HJNDMZXMHCYYHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-2-9-5-3-4-6-11(9)13-8-10-7-12-10/h9-11H,2-8H2,1H3.
What are the key properties of 2-[(2-ethylcyclohexyl)oxymethyl]oxirane?
2-[(2-ethylcyclohexyl)oxymethyl]oxirane has a molecular weight of 184.28 g/mol, XLogP of 2.37, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethylcyclohexyl)oxymethyl]oxirane is sourced from PubChem (CID 24704778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).