3-(cyclohexylidenemethoxymethyl)oxolane

C12H20O2 — CID 176604481

IUPAC3-(cyclohexylidenemethoxymethyl)oxolane
SMILESC(OCC1CCOC1)=C1CCCCC1
InChIInChI=1S/C12H20O2/c1-2-4-11(5-3-1)8-14-10-12-6-7-13-9-12/h8,12H,1-7,9-10H2
InChIKeyWTZKLQPQDJUNAZ-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.89
Rot. Bonds3

About 3-(cyclohexylidenemethoxymethyl)oxolane

3-(cyclohexylidenemethoxymethyl)oxolane (PubChem CID 176604481) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is 3-(cyclohexylidenemethoxymethyl)oxolane.

Molecular Properties

Compound Name3-(cyclohexylidenemethoxymethyl)oxolane
PubChem CID176604481
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name3-(cyclohexylidenemethoxymethyl)oxolane
SMILESC(OCC1CCOC1)=C1CCCCC1
InChIInChI=1S/C12H20O2/c1-2-4-11(5-3-1)8-14-10-12-6-7-13-9-12/h8,12H,1-7,9-10H2
InChIKeyWTZKLQPQDJUNAZ-UHFFFAOYSA-N
XLogP2.89
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.89
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-(Cyclopentylidenemethoxymethyl)oxolane
CID 176603264
3-[2-(Cyclohexylidenemethoxy)ethyl]oxolane
CID 176604719
3-(Cyclohexylidenemethoxymethyl)-3-ethyloxolane
CID 176604749
3-[1-(Cyclohexylidenemethoxy)ethyl]oxolane
CID 176605004
3-[2-(Cyclohexylidenemethoxy)ethyl]oxetane
CID 176605299
3-(Cyclohexylidenemethoxymethyl)-3-methyloxolane
CID 176605369

Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexylidenemethoxymethyl)oxolane?
The IUPAC name of 3-(cyclohexylidenemethoxymethyl)oxolane (CID 176604481) is 3-(cyclohexylidenemethoxymethyl)oxolane.
What is the SMILES notation for 3-(cyclohexylidenemethoxymethyl)oxolane?
The canonical SMILES for 3-(cyclohexylidenemethoxymethyl)oxolane is C(OCC1CCOC1)=C1CCCCC1.
What is the InChIKey of 3-(cyclohexylidenemethoxymethyl)oxolane?
The InChIKey is WTZKLQPQDJUNAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2/c1-2-4-11(5-3-1)8-14-10-12-6-7-13-9-12/h8,12H,1-7,9-10H2.
What are the key properties of 3-(cyclohexylidenemethoxymethyl)oxolane?
3-(cyclohexylidenemethoxymethyl)oxolane has a molecular weight of 196.29 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexylidenemethoxymethyl)oxolane is sourced from PubChem (CID 176604481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).