2-(cyclohexylidenemethoxymethyl)oxolane

C12H20O2 — CID 176602984

IUPAC2-(cyclohexylidenemethoxymethyl)oxolane
SMILESC(OCC1CCCO1)=C1CCCCC1
InChIInChI=1S/C12H20O2/c1-2-5-11(6-3-1)9-13-10-12-7-4-8-14-12/h9,12H,1-8,10H2
InChIKeyQACWHFCGUSXUAR-UHFFFAOYSA-N
MW196.29 g/mol
LogP3.03
Rot. Bonds3

About 2-(cyclohexylidenemethoxymethyl)oxolane

2-(cyclohexylidenemethoxymethyl)oxolane (PubChem CID 176602984) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is 2-(cyclohexylidenemethoxymethyl)oxolane.

Molecular Properties

Compound Name2-(cyclohexylidenemethoxymethyl)oxolane
PubChem CID176602984
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name2-(cyclohexylidenemethoxymethyl)oxolane
SMILESC(OCC1CCCO1)=C1CCCCC1
InChIInChI=1S/C12H20O2/c1-2-5-11(6-3-1)9-13-10-12-7-4-8-14-12/h9,12H,1-8,10H2
InChIKeyQACWHFCGUSXUAR-UHFFFAOYSA-N
XLogP3.03
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 ≤ 53.03
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-(Cyclopentylidenemethoxymethyl)oxolane
CID 176603014
3-(Cyclohexylidenemethoxy)oxolane
CID 176603024
3-(Cyclohexylidenemethoxy)oxepane
CID 176603299
2-[1-(Cyclopentylidenemethoxy)ethyl]oxolane
CID 176603324
2-[3-(Cyclohexylidenemethoxy)propyl]-1,4-dioxane
CID 176603397
2-(Cyclohexylidenemethoxymethyl)-2-methyloxolane
CID 176604176
2-[3-(Cyclopentylidenemethoxy)propyl]-1,4-dioxane
CID 176604757
2-[2-(Cyclohexylidenemethoxy)ethyl]oxolane
CID 176604877
2-(Cyclohexylidenemethoxymethyl)-2-ethyloxolane
CID 176605337

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylidenemethoxymethyl)oxolane?
The IUPAC name of 2-(cyclohexylidenemethoxymethyl)oxolane (CID 176602984) is 2-(cyclohexylidenemethoxymethyl)oxolane.
What is the SMILES notation for 2-(cyclohexylidenemethoxymethyl)oxolane?
The canonical SMILES for 2-(cyclohexylidenemethoxymethyl)oxolane is C(OCC1CCCO1)=C1CCCCC1.
What is the InChIKey of 2-(cyclohexylidenemethoxymethyl)oxolane?
The InChIKey is QACWHFCGUSXUAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2/c1-2-5-11(6-3-1)9-13-10-12-7-4-8-14-12/h9,12H,1-8,10H2.
What are the key properties of 2-(cyclohexylidenemethoxymethyl)oxolane?
2-(cyclohexylidenemethoxymethyl)oxolane has a molecular weight of 196.29 g/mol, XLogP of 3.03, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylidenemethoxymethyl)oxolane is sourced from PubChem (CID 176602984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).