3-(cyclohexylidenemethoxymethyl)oxane

C13H22O2 — CID 176604204

IUPAC3-(cyclohexylidenemethoxymethyl)oxane
SMILESC(OCC1CCCOC1)=C1CCCCC1
InChIInChI=1S/C13H22O2/c1-2-5-12(6-3-1)9-15-11-13-7-4-8-14-10-13/h9,13H,1-8,10-11H2
InChIKeyVVUWWMMUDMQWPH-UHFFFAOYSA-N
MW210.32 g/mol
LogP3.28
Rot. Bonds3

About 3-(cyclohexylidenemethoxymethyl)oxane

3-(cyclohexylidenemethoxymethyl)oxane (PubChem CID 176604204) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is 3-(cyclohexylidenemethoxymethyl)oxane.

Molecular Properties

Compound Name3-(cyclohexylidenemethoxymethyl)oxane
PubChem CID176604204
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Name3-(cyclohexylidenemethoxymethyl)oxane
SMILESC(OCC1CCCOC1)=C1CCCCC1
InChIInChI=1S/C13H22O2/c1-2-5-12(6-3-1)9-15-11-13-7-4-8-14-10-13/h9,13H,1-8,10-11H2
InChIKeyVVUWWMMUDMQWPH-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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Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexylidenemethoxymethyl)oxane?
The IUPAC name of 3-(cyclohexylidenemethoxymethyl)oxane (CID 176604204) is 3-(cyclohexylidenemethoxymethyl)oxane.
What is the SMILES notation for 3-(cyclohexylidenemethoxymethyl)oxane?
The canonical SMILES for 3-(cyclohexylidenemethoxymethyl)oxane is C(OCC1CCCOC1)=C1CCCCC1.
What is the InChIKey of 3-(cyclohexylidenemethoxymethyl)oxane?
The InChIKey is VVUWWMMUDMQWPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O2/c1-2-5-12(6-3-1)9-15-11-13-7-4-8-14-10-13/h9,13H,1-8,10-11H2.
What are the key properties of 3-(cyclohexylidenemethoxymethyl)oxane?
3-(cyclohexylidenemethoxymethyl)oxane 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)oxane is sourced from PubChem (CID 176604204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).