2-(cyclohexylidenemethoxymethyl)-2-methyloxolane

C13H22O2 — CID 176604176

IUPAC2-(cyclohexylidenemethoxymethyl)-2-methyloxolane
SMILESCC1(COC=C2CCCCC2)CCCO1
InChIInChI=1S/C13H22O2/c1-13(8-5-9-15-13)11-14-10-12-6-3-2-4-7-12/h10H,2-9,11H2,1H3
InChIKeyQVWSTSINAOEEED-UHFFFAOYSA-N
MW210.32 g/mol
LogP3.42
Rot. Bonds3

About 2-(cyclohexylidenemethoxymethyl)-2-methyloxolane

2-(cyclohexylidenemethoxymethyl)-2-methyloxolane (PubChem CID 176604176) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is 2-(cyclohexylidenemethoxymethyl)-2-methyloxolane.

Molecular Properties

Compound Name2-(cyclohexylidenemethoxymethyl)-2-methyloxolane
PubChem CID176604176
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Name2-(cyclohexylidenemethoxymethyl)-2-methyloxolane
SMILESCC1(COC=C2CCCCC2)CCCO1
InChIInChI=1S/C13H22O2/c1-13(8-5-9-15-13)11-14-10-12-6-3-2-4-7-12/h10H,2-9,11H2,1H3
InChIKeyQVWSTSINAOEEED-UHFFFAOYSA-N
XLogP3.42
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 ≤ 53.42
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

2-[1-(Cyclohexylidenemethoxy)ethyl]oxolane
CID 176602906
2-(Cyclohexylidenemethoxymethyl)oxolane
CID 176602984
2-Methyl-2-(2-methylprop-1-enoxymethyl)oxolane
CID 176603627
2-[3-(Cyclopentylidenemethoxy)propyl]-2-ethyl-1,4-dioxane
CID 176603886
2-(Cyclopentylidenemethoxymethyl)-2-methyloxolane
CID 176603890
2-(Cyclopentylidenemethoxymethyl)-2-ethyloxolane
CID 176603992
2-Ethyl-2-(2-methylprop-1-enoxymethyl)oxolane
CID 176604121
2-[2-(Cyclohexylidenemethoxy)ethyl]-2-methyloxolane
CID 176604379
2-(Cyclohexylidenemethoxymethyl)-2-ethyloxolane
CID 176605337

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylidenemethoxymethyl)-2-methyloxolane?
The IUPAC name of 2-(cyclohexylidenemethoxymethyl)-2-methyloxolane (CID 176604176) is 2-(cyclohexylidenemethoxymethyl)-2-methyloxolane.
What is the SMILES notation for 2-(cyclohexylidenemethoxymethyl)-2-methyloxolane?
The canonical SMILES for 2-(cyclohexylidenemethoxymethyl)-2-methyloxolane is CC1(COC=C2CCCCC2)CCCO1.
What is the InChIKey of 2-(cyclohexylidenemethoxymethyl)-2-methyloxolane?
The InChIKey is QVWSTSINAOEEED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O2/c1-13(8-5-9-15-13)11-14-10-12-6-3-2-4-7-12/h10H,2-9,11H2,1H3.
What are the key properties of 2-(cyclohexylidenemethoxymethyl)-2-methyloxolane?
2-(cyclohexylidenemethoxymethyl)-2-methyloxolane has a molecular weight of 210.32 g/mol, XLogP of 3.42, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylidenemethoxymethyl)-2-methyloxolane is sourced from PubChem (CID 176604176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).