2-(cyclohexylidenemethoxymethyl)-2-ethyloxirane

C12H20O2 — CID 176604663

IUPAC2-(cyclohexylidenemethoxymethyl)-2-ethyloxirane
SMILESCCC1(COC=C2CCCCC2)CO1
InChIInChI=1S/C12H20O2/c1-2-12(10-14-12)9-13-8-11-6-4-3-5-7-11/h8H,2-7,9-10H2,1H3
InChIKeyJTGKEJOXJZITHN-UHFFFAOYSA-N
MW196.29 g/mol
LogP3.03
Rot. Bonds4

About 2-(cyclohexylidenemethoxymethyl)-2-ethyloxirane

2-(cyclohexylidenemethoxymethyl)-2-ethyloxirane (PubChem CID 176604663) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is 2-(cyclohexylidenemethoxymethyl)-2-ethyloxirane.

Molecular Properties

Compound Name2-(cyclohexylidenemethoxymethyl)-2-ethyloxirane
PubChem CID176604663
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name2-(cyclohexylidenemethoxymethyl)-2-ethyloxirane
SMILESCCC1(COC=C2CCCCC2)CO1
InChIInChI=1S/C12H20O2/c1-2-12(10-14-12)9-13-8-11-6-4-3-5-7-11/h8H,2-7,9-10H2,1H3
InChIKeyJTGKEJOXJZITHN-UHFFFAOYSA-N
XLogP3.03
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

2-Ethyl-2-(hex-1-enoxymethyl)oxirane
CID 118977542
2-(Cyclopentylidenemethoxymethyl)-2-ethyloxirane
CID 176603520
2-(Cyclohexylidenemethoxymethyl)-2-ethyl-1,4-dioxane
CID 176604087
2-(Cyclohexylidenemethoxymethyl)-2-methyloxirane
CID 176604430
2-[2-(Cyclohexylidenemethoxy)ethyl]-2-methyloxirane
CID 176604518
2-[1-(Cyclohexylidenemethoxy)ethyl]oxirane
CID 176604726
2-(Cyclohexylidenemethoxymethyl)oxirane
CID 176605328
2-[2-(Cyclohexylidenemethoxy)ethyl]-2-methyl-1,4-dioxane
CID 176605441

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylidenemethoxymethyl)-2-ethyloxirane?
The IUPAC name of 2-(cyclohexylidenemethoxymethyl)-2-ethyloxirane (CID 176604663) is 2-(cyclohexylidenemethoxymethyl)-2-ethyloxirane.
What is the SMILES notation for 2-(cyclohexylidenemethoxymethyl)-2-ethyloxirane?
The canonical SMILES for 2-(cyclohexylidenemethoxymethyl)-2-ethyloxirane is CCC1(COC=C2CCCCC2)CO1.
What is the InChIKey of 2-(cyclohexylidenemethoxymethyl)-2-ethyloxirane?
The InChIKey is JTGKEJOXJZITHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2/c1-2-12(10-14-12)9-13-8-11-6-4-3-5-7-11/h8H,2-7,9-10H2,1H3.
What are the key properties of 2-(cyclohexylidenemethoxymethyl)-2-ethyloxirane?
2-(cyclohexylidenemethoxymethyl)-2-ethyloxirane has a molecular weight of 196.29 g/mol, XLogP of 3.03, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylidenemethoxymethyl)-2-ethyloxirane is sourced from PubChem (CID 176604663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).