3-(cyclohexylidenemethoxymethyl)-3-methyloxetane

C12H20O2 — CID 176604629

IUPAC3-(cyclohexylidenemethoxymethyl)-3-methyloxetane
SMILESCC1(COC=C2CCCCC2)COC1
InChIInChI=1S/C12H20O2/c1-12(9-14-10-12)8-13-7-11-5-3-2-4-6-11/h7H,2-6,8-10H2,1H3
InChIKeyXGFGDSBCOYFPIH-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.89
Rot. Bonds3

About 3-(cyclohexylidenemethoxymethyl)-3-methyloxetane

3-(cyclohexylidenemethoxymethyl)-3-methyloxetane (PubChem CID 176604629) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is 3-(cyclohexylidenemethoxymethyl)-3-methyloxetane.

Molecular Properties

Compound Name3-(cyclohexylidenemethoxymethyl)-3-methyloxetane
PubChem CID176604629
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name3-(cyclohexylidenemethoxymethyl)-3-methyloxetane
SMILESCC1(COC=C2CCCCC2)COC1
InChIInChI=1S/C12H20O2/c1-12(9-14-10-12)8-13-7-11-5-3-2-4-6-11/h7H,2-6,8-10H2,1H3
InChIKeyXGFGDSBCOYFPIH-UHFFFAOYSA-N
XLogP2.89
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Ethoxymethylene)cyclohexane
CID 12361524
1,4-Bis(methoxymethylidene)cyclohexane
CID 53861251
Propoxymethylidenecyclohexane
CID 140106535
3-(Cyclohexylidenemethoxymethyl)oxetane
CID 176602939
3-[2-(Cyclohexylidenemethoxy)ethyl]-3-methyloxetane
CID 176603235
3-[1-(Cyclohexylidenemethoxy)ethyl]oxetane
CID 176603931
3-(Cyclohexylidenemethoxymethyl)-3-ethyloxetane
CID 176604381
3-(Cyclopentylidenemethoxymethyl)-3-methyloxetane
CID 176605194

Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexylidenemethoxymethyl)-3-methyloxetane?
The IUPAC name of 3-(cyclohexylidenemethoxymethyl)-3-methyloxetane (CID 176604629) is 3-(cyclohexylidenemethoxymethyl)-3-methyloxetane.
What is the SMILES notation for 3-(cyclohexylidenemethoxymethyl)-3-methyloxetane?
The canonical SMILES for 3-(cyclohexylidenemethoxymethyl)-3-methyloxetane is CC1(COC=C2CCCCC2)COC1.
What is the InChIKey of 3-(cyclohexylidenemethoxymethyl)-3-methyloxetane?
The InChIKey is XGFGDSBCOYFPIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2/c1-12(9-14-10-12)8-13-7-11-5-3-2-4-6-11/h7H,2-6,8-10H2,1H3.
What are the key properties of 3-(cyclohexylidenemethoxymethyl)-3-methyloxetane?
3-(cyclohexylidenemethoxymethyl)-3-methyloxetane has a molecular weight of 196.29 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexylidenemethoxymethyl)-3-methyloxetane is sourced from PubChem (CID 176604629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).