2-[(2-ethylcyclohexyl)oxymethyl]-2-methyloxirane

C12H22O2 — CID 66335824

IUPAC2-[(2-ethylcyclohexyl)oxymethyl]-2-methyloxirane
SMILESCCC1CCCCC1OCC1(C)CO1
InChIInChI=1S/C12H22O2/c1-3-10-6-4-5-7-11(10)13-8-12(2)9-14-12/h10-11H,3-9H2,1-2H3
InChIKeyBLLCBUHPKQCUKS-UHFFFAOYSA-N
MW198.31 g/mol
LogP2.76
Rot. Bonds4

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

2-[(2-ethylcyclohexyl)oxymethyl]-2-methyloxirane (PubChem CID 66335824) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is 2-[(2-ethylcyclohexyl)oxymethyl]-2-methyloxirane.

Molecular Properties

Compound Name2-[(2-ethylcyclohexyl)oxymethyl]-2-methyloxirane
PubChem CID66335824
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name2-[(2-ethylcyclohexyl)oxymethyl]-2-methyloxirane
SMILESCCC1CCCCC1OCC1(C)CO1
InChIInChI=1S/C12H22O2/c1-3-10-6-4-5-7-11(10)13-8-12(2)9-14-12/h10-11H,3-9H2,1-2H3
InChIKeyBLLCBUHPKQCUKS-UHFFFAOYSA-N
XLogP2.76
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 52.76
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]-2-methyloxirane?
The IUPAC name of 2-[(2-ethylcyclohexyl)oxymethyl]-2-methyloxirane (CID 66335824) is 2-[(2-ethylcyclohexyl)oxymethyl]-2-methyloxirane.
What is the SMILES notation for 2-[(2-ethylcyclohexyl)oxymethyl]-2-methyloxirane?
The canonical SMILES for 2-[(2-ethylcyclohexyl)oxymethyl]-2-methyloxirane is CCC1CCCCC1OCC1(C)CO1.
What is the InChIKey of 2-[(2-ethylcyclohexyl)oxymethyl]-2-methyloxirane?
The InChIKey is BLLCBUHPKQCUKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O2/c1-3-10-6-4-5-7-11(10)13-8-12(2)9-14-12/h10-11H,3-9H2,1-2H3.
What are the key properties of 2-[(2-ethylcyclohexyl)oxymethyl]-2-methyloxirane?
2-[(2-ethylcyclohexyl)oxymethyl]-2-methyloxirane has a molecular weight of 198.31 g/mol, XLogP of 2.76, 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]-2-methyloxirane is sourced from PubChem (CID 66335824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).