3-(cyclohexylidenemethoxymethyl)-3-methyloxolane

C13H22O2 — CID 176605369

IUPAC3-(cyclohexylidenemethoxymethyl)-3-methyloxolane
SMILESCC1(COC=C2CCCCC2)CCOC1
InChIInChI=1S/C13H22O2/c1-13(7-8-14-10-13)11-15-9-12-5-3-2-4-6-12/h9H,2-8,10-11H2,1H3
InChIKeyAQUXCNQIINLHOC-UHFFFAOYSA-N
MW210.32 g/mol
LogP3.28
Rot. Bonds3

About 3-(cyclohexylidenemethoxymethyl)-3-methyloxolane

3-(cyclohexylidenemethoxymethyl)-3-methyloxolane (PubChem CID 176605369) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is 3-(cyclohexylidenemethoxymethyl)-3-methyloxolane.

Molecular Properties

Compound Name3-(cyclohexylidenemethoxymethyl)-3-methyloxolane
PubChem CID176605369
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Name3-(cyclohexylidenemethoxymethyl)-3-methyloxolane
SMILESCC1(COC=C2CCCCC2)CCOC1
InChIInChI=1S/C13H22O2/c1-13(7-8-14-10-13)11-15-9-12-5-3-2-4-6-12/h9H,2-8,10-11H2,1H3
InChIKeyAQUXCNQIINLHOC-UHFFFAOYSA-N
XLogP3.28
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
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'}

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Related Compounds

3-[2-(Cyclohexylidenemethoxy)ethyl]-3-methyloxetane
CID 176603235
3-[2-(Cyclohexylidenemethoxy)ethyl]-3-methyloxolane
CID 176603522
3-(Cyclopentylidenemethoxymethyl)-3-methyloxolane
CID 176603875
3-(Cyclohexylidenemethoxymethyl)-3-ethyloxetane
CID 176604381
3-(Cyclohexylidenemethoxymethyl)oxolane
CID 176604481
3-(Cyclohexylidenemethoxymethyl)-3-ethyloxolane
CID 176604749
3-[1-(Cyclohexylidenemethoxy)ethyl]oxolane
CID 176605004

Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexylidenemethoxymethyl)-3-methyloxolane?
The IUPAC name of 3-(cyclohexylidenemethoxymethyl)-3-methyloxolane (CID 176605369) is 3-(cyclohexylidenemethoxymethyl)-3-methyloxolane.
What is the SMILES notation for 3-(cyclohexylidenemethoxymethyl)-3-methyloxolane?
The canonical SMILES for 3-(cyclohexylidenemethoxymethyl)-3-methyloxolane is CC1(COC=C2CCCCC2)CCOC1.
What is the InChIKey of 3-(cyclohexylidenemethoxymethyl)-3-methyloxolane?
The InChIKey is AQUXCNQIINLHOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O2/c1-13(7-8-14-10-13)11-15-9-12-5-3-2-4-6-12/h9H,2-8,10-11H2,1H3.
What are the key properties of 3-(cyclohexylidenemethoxymethyl)-3-methyloxolane?
3-(cyclohexylidenemethoxymethyl)-3-methyloxolane has a molecular weight of 210.32 g/mol, XLogP of 3.28, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexylidenemethoxymethyl)-3-methyloxolane is sourced from PubChem (CID 176605369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).