3-(cyclohexylidenemethoxymethyl)oxetane

C11H18O2 — CID 176602939

IUPAC3-(cyclohexylidenemethoxymethyl)oxetane
SMILESC(OCC1COC1)=C1CCCCC1
InChIInChI=1S/C11H18O2/c1-2-4-10(5-3-1)6-12-7-11-8-13-9-11/h6,11H,1-5,7-9H2
InChIKeyPHNIRQZXQHNIBK-UHFFFAOYSA-N
MW182.26 g/mol
LogP2.50
Rot. Bonds3

About 3-(cyclohexylidenemethoxymethyl)oxetane

3-(cyclohexylidenemethoxymethyl)oxetane (PubChem CID 176602939) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is 3-(cyclohexylidenemethoxymethyl)oxetane.

Molecular Properties

Compound Name3-(cyclohexylidenemethoxymethyl)oxetane
PubChem CID176602939
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name3-(cyclohexylidenemethoxymethyl)oxetane
SMILESC(OCC1COC1)=C1CCCCC1
InChIInChI=1S/C11H18O2/c1-2-4-10(5-3-1)6-12-7-11-8-13-9-11/h6,11H,1-5,7-9H2
InChIKeyPHNIRQZXQHNIBK-UHFFFAOYSA-N
XLogP2.50
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.50
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

1,4-Bis(methoxymethylidene)cyclohexane
CID 53861251
1,4-Bis(ethenoxymethylidene)cyclohexane
CID 155762012
3-[1-(Cyclohexylidenemethoxy)ethyl]oxetane
CID 176603931
3-(Cyclohexylidenemethoxymethyl)-3-ethyloxetane
CID 176604381
3-(Cyclohexylidenemethoxymethyl)-3-methyloxetane
CID 176604629
3-(Cyclopentylidenemethoxymethyl)oxetane
CID 176605132
3-[2-(Cyclohexylidenemethoxy)ethyl]oxetane
CID 176605299

Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexylidenemethoxymethyl)oxetane?
The IUPAC name of 3-(cyclohexylidenemethoxymethyl)oxetane (CID 176602939) is 3-(cyclohexylidenemethoxymethyl)oxetane.
What is the SMILES notation for 3-(cyclohexylidenemethoxymethyl)oxetane?
The canonical SMILES for 3-(cyclohexylidenemethoxymethyl)oxetane is C(OCC1COC1)=C1CCCCC1.
What is the InChIKey of 3-(cyclohexylidenemethoxymethyl)oxetane?
The InChIKey is PHNIRQZXQHNIBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-2-4-10(5-3-1)6-12-7-11-8-13-9-11/h6,11H,1-5,7-9H2.
What are the key properties of 3-(cyclohexylidenemethoxymethyl)oxetane?
3-(cyclohexylidenemethoxymethyl)oxetane has a molecular weight of 182.26 g/mol, XLogP of 2.50, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexylidenemethoxymethyl)oxetane is sourced from PubChem (CID 176602939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).