3-[1-(cyclohexylidenemethoxy)ethyl]oxolane

C13H22O2 — CID 176605004

IUPAC3-[1-(cyclohexylidenemethoxy)ethyl]oxolane
SMILESCC(OC=C1CCCCC1)C1CCOC1
InChIInChI=1S/C13H22O2/c1-11(13-7-8-14-10-13)15-9-12-5-3-2-4-6-12/h9,11,13H,2-8,10H2,1H3
InChIKeyUALSPALLNXDDIO-UHFFFAOYSA-N
MW210.32 g/mol
LogP3.28
Rot. Bonds3

About 3-[1-(cyclohexylidenemethoxy)ethyl]oxolane

3-[1-(cyclohexylidenemethoxy)ethyl]oxolane (PubChem CID 176605004) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is 3-[1-(cyclohexylidenemethoxy)ethyl]oxolane.

Molecular Properties

Compound Name3-[1-(cyclohexylidenemethoxy)ethyl]oxolane
PubChem CID176605004
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Name3-[1-(cyclohexylidenemethoxy)ethyl]oxolane
SMILESCC(OC=C1CCCCC1)C1CCOC1
InChIInChI=1S/C13H22O2/c1-11(13-7-8-14-10-13)15-9-12-5-3-2-4-6-12/h9,11,13H,2-8,10H2,1H3
InChIKeyUALSPALLNXDDIO-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-[1-(cyclohexylidenemethoxy)ethyl]oxolane?
The IUPAC name of 3-[1-(cyclohexylidenemethoxy)ethyl]oxolane (CID 176605004) is 3-[1-(cyclohexylidenemethoxy)ethyl]oxolane.
What is the SMILES notation for 3-[1-(cyclohexylidenemethoxy)ethyl]oxolane?
The canonical SMILES for 3-[1-(cyclohexylidenemethoxy)ethyl]oxolane is CC(OC=C1CCCCC1)C1CCOC1.
What is the InChIKey of 3-[1-(cyclohexylidenemethoxy)ethyl]oxolane?
The InChIKey is UALSPALLNXDDIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O2/c1-11(13-7-8-14-10-13)15-9-12-5-3-2-4-6-12/h9,11,13H,2-8,10H2,1H3.
What are the key properties of 3-[1-(cyclohexylidenemethoxy)ethyl]oxolane?
3-[1-(cyclohexylidenemethoxy)ethyl]oxolane 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-[1-(cyclohexylidenemethoxy)ethyl]oxolane is sourced from PubChem (CID 176605004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).