3-[1-(cyclopentylidenemethoxy)ethyl]oxolane

C12H20O2 — CID 176603244

IUPAC3-[1-(cyclopentylidenemethoxy)ethyl]oxolane
SMILESCC(OC=C1CCCC1)C1CCOC1
InChIInChI=1S/C12H20O2/c1-10(12-6-7-13-9-12)14-8-11-4-2-3-5-11/h8,10,12H,2-7,9H2,1H3
InChIKeyAVZMFLVOZBGCHO-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.89
Rot. Bonds3

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

3-[1-(cyclopentylidenemethoxy)ethyl]oxolane (PubChem CID 176603244) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is 3-[1-(cyclopentylidenemethoxy)ethyl]oxolane.

Molecular Properties

Compound Name3-[1-(cyclopentylidenemethoxy)ethyl]oxolane
PubChem CID176603244
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name3-[1-(cyclopentylidenemethoxy)ethyl]oxolane
SMILESCC(OC=C1CCCC1)C1CCOC1
InChIInChI=1S/C12H20O2/c1-10(12-6-7-13-9-12)14-8-11-4-2-3-5-11/h8,10,12H,2-7,9H2,1H3
InChIKeyAVZMFLVOZBGCHO-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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Frequently Asked Questions

What is the IUPAC name of 3-[1-(cyclopentylidenemethoxy)ethyl]oxolane?
The IUPAC name of 3-[1-(cyclopentylidenemethoxy)ethyl]oxolane (CID 176603244) is 3-[1-(cyclopentylidenemethoxy)ethyl]oxolane.
What is the SMILES notation for 3-[1-(cyclopentylidenemethoxy)ethyl]oxolane?
The canonical SMILES for 3-[1-(cyclopentylidenemethoxy)ethyl]oxolane is CC(OC=C1CCCC1)C1CCOC1.
What is the InChIKey of 3-[1-(cyclopentylidenemethoxy)ethyl]oxolane?
The InChIKey is AVZMFLVOZBGCHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2/c1-10(12-6-7-13-9-12)14-8-11-4-2-3-5-11/h8,10,12H,2-7,9H2,1H3.
What are the key properties of 3-[1-(cyclopentylidenemethoxy)ethyl]oxolane?
3-[1-(cyclopentylidenemethoxy)ethyl]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-[1-(cyclopentylidenemethoxy)ethyl]oxolane is sourced from PubChem (CID 176603244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).