3-[2-(cyclohexylidenemethoxy)ethyl]-3-methyloxetane

C13H22O2 — CID 176603235

IUPAC3-[2-(cyclohexylidenemethoxy)ethyl]-3-methyloxetane
SMILESCC1(CCOC=C2CCCCC2)COC1
InChIInChI=1S/C13H22O2/c1-13(10-15-11-13)7-8-14-9-12-5-3-2-4-6-12/h9H,2-8,10-11H2,1H3
InChIKeyRYHVFEBKIMOCMN-UHFFFAOYSA-N
MW210.32 g/mol
LogP3.28
Rot. Bonds4

About 3-[2-(cyclohexylidenemethoxy)ethyl]-3-methyloxetane

3-[2-(cyclohexylidenemethoxy)ethyl]-3-methyloxetane (PubChem CID 176603235) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is 3-[2-(cyclohexylidenemethoxy)ethyl]-3-methyloxetane.

Molecular Properties

Compound Name3-[2-(cyclohexylidenemethoxy)ethyl]-3-methyloxetane
PubChem CID176603235
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Name3-[2-(cyclohexylidenemethoxy)ethyl]-3-methyloxetane
SMILESCC1(CCOC=C2CCCCC2)COC1
InChIInChI=1S/C13H22O2/c1-13(10-15-11-13)7-8-14-9-12-5-3-2-4-6-12/h9H,2-8,10-11H2,1H3
InChIKeyRYHVFEBKIMOCMN-UHFFFAOYSA-N
XLogP3.28
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(Cyclohexylidenemethoxymethyl)-3-ethyloxetane
CID 176604381
3-[2-(Cyclopentylidenemethoxy)ethyl]-3-methyloxetane
CID 176604517
3-(Cyclohexylidenemethoxymethyl)-3-methyloxetane
CID 176604629
3-[2-(Cyclohexylidenemethoxy)ethyl]oxetane
CID 176605299
3-(Cyclohexylidenemethoxymethyl)-3-methyloxolane
CID 176605369

Frequently Asked Questions

What is the IUPAC name of 3-[2-(cyclohexylidenemethoxy)ethyl]-3-methyloxetane?
The IUPAC name of 3-[2-(cyclohexylidenemethoxy)ethyl]-3-methyloxetane (CID 176603235) is 3-[2-(cyclohexylidenemethoxy)ethyl]-3-methyloxetane.
What is the SMILES notation for 3-[2-(cyclohexylidenemethoxy)ethyl]-3-methyloxetane?
The canonical SMILES for 3-[2-(cyclohexylidenemethoxy)ethyl]-3-methyloxetane is CC1(CCOC=C2CCCCC2)COC1.
What is the InChIKey of 3-[2-(cyclohexylidenemethoxy)ethyl]-3-methyloxetane?
The InChIKey is RYHVFEBKIMOCMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O2/c1-13(10-15-11-13)7-8-14-9-12-5-3-2-4-6-12/h9H,2-8,10-11H2,1H3.
What are the key properties of 3-[2-(cyclohexylidenemethoxy)ethyl]-3-methyloxetane?
3-[2-(cyclohexylidenemethoxy)ethyl]-3-methyloxetane has a molecular weight of 210.32 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(cyclohexylidenemethoxy)ethyl]-3-methyloxetane is sourced from PubChem (CID 176603235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).