3-[2-(cyclohexylidenemethoxy)ethyl]oxolane

C13H22O2 — CID 176604719

IUPAC3-[2-(cyclohexylidenemethoxy)ethyl]oxolane
SMILESC(OCCC1CCOC1)=C1CCCCC1
InChIInChI=1S/C13H22O2/c1-2-4-12(5-3-1)10-14-8-6-13-7-9-15-11-13/h10,13H,1-9,11H2
InChIKeyKVFNJJXITCJDRS-UHFFFAOYSA-N
MW210.32 g/mol
LogP3.28
Rot. Bonds4

About 3-[2-(cyclohexylidenemethoxy)ethyl]oxolane

3-[2-(cyclohexylidenemethoxy)ethyl]oxolane (PubChem CID 176604719) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is 3-[2-(cyclohexylidenemethoxy)ethyl]oxolane.

Molecular Properties

Compound Name3-[2-(cyclohexylidenemethoxy)ethyl]oxolane
PubChem CID176604719
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Name3-[2-(cyclohexylidenemethoxy)ethyl]oxolane
SMILESC(OCCC1CCOC1)=C1CCCCC1
InChIInChI=1S/C13H22O2/c1-2-4-12(5-3-1)10-14-8-6-13-7-9-15-11-13/h10,13H,1-9,11H2
InChIKeyKVFNJJXITCJDRS-UHFFFAOYSA-N
XLogP3.28
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
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'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[2-(Cyclopentylidenemethoxy)ethyl]oxane
CID 176603001
3-[2-(Cyclopentylidenemethoxy)ethyl]oxolane
CID 176603117
3-[2-(Cyclohexylidenemethoxy)ethyl]-3-methyloxolane
CID 176603522
3-[3-(Cyclopentylidenemethoxy)propyl]oxolane
CID 176604301
3-(Cyclohexylidenemethoxymethyl)oxolane
CID 176604481
4-(Cyclohexylidenemethoxymethyl)oxane
CID 176604614
3-(Cyclohexylidenemethoxymethyl)-3-ethyloxolane
CID 176604749
3-[3-(Cyclohexylidenemethoxy)propyl]oxolane
CID 176604799
3-[1-(Cyclohexylidenemethoxy)ethyl]oxolane
CID 176605004
4-[2-(Cyclohexylidenemethoxy)ethyl]oxane
CID 176605365

Frequently Asked Questions

What is the IUPAC name of 3-[2-(cyclohexylidenemethoxy)ethyl]oxolane?
The IUPAC name of 3-[2-(cyclohexylidenemethoxy)ethyl]oxolane (CID 176604719) is 3-[2-(cyclohexylidenemethoxy)ethyl]oxolane.
What is the SMILES notation for 3-[2-(cyclohexylidenemethoxy)ethyl]oxolane?
The canonical SMILES for 3-[2-(cyclohexylidenemethoxy)ethyl]oxolane is C(OCCC1CCOC1)=C1CCCCC1.
What is the InChIKey of 3-[2-(cyclohexylidenemethoxy)ethyl]oxolane?
The InChIKey is KVFNJJXITCJDRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O2/c1-2-4-12(5-3-1)10-14-8-6-13-7-9-15-11-13/h10,13H,1-9,11H2.
What are the key properties of 3-[2-(cyclohexylidenemethoxy)ethyl]oxolane?
3-[2-(cyclohexylidenemethoxy)ethyl]oxolane has a molecular weight of 210.32 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(cyclohexylidenemethoxy)ethyl]oxolane is sourced from PubChem (CID 176604719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).