3-[2-(cyclopentylidenemethoxy)ethyl]oxetane

C11H18O2 — CID 176605026

IUPAC3-[2-(cyclopentylidenemethoxy)ethyl]oxetane
SMILESC(OCCC1COC1)=C1CCCC1
InChIInChI=1S/C11H18O2/c1-2-4-10(3-1)7-12-6-5-11-8-13-9-11/h7,11H,1-6,8-9H2
InChIKeyDQMAQIHGHHQAJU-UHFFFAOYSA-N
MW182.26 g/mol
LogP2.50
Rot. Bonds4

About 3-[2-(cyclopentylidenemethoxy)ethyl]oxetane

3-[2-(cyclopentylidenemethoxy)ethyl]oxetane (PubChem CID 176605026) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is 3-[2-(cyclopentylidenemethoxy)ethyl]oxetane.

Molecular Properties

Compound Name3-[2-(cyclopentylidenemethoxy)ethyl]oxetane
PubChem CID176605026
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name3-[2-(cyclopentylidenemethoxy)ethyl]oxetane
SMILESC(OCCC1COC1)=C1CCCC1
InChIInChI=1S/C11H18O2/c1-2-4-10(3-1)7-12-6-5-11-8-13-9-11/h7,11H,1-6,8-9H2
InChIKeyDQMAQIHGHHQAJU-UHFFFAOYSA-N
XLogP2.50
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.50
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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Frequently Asked Questions

What is the IUPAC name of 3-[2-(cyclopentylidenemethoxy)ethyl]oxetane?
The IUPAC name of 3-[2-(cyclopentylidenemethoxy)ethyl]oxetane (CID 176605026) is 3-[2-(cyclopentylidenemethoxy)ethyl]oxetane.
What is the SMILES notation for 3-[2-(cyclopentylidenemethoxy)ethyl]oxetane?
The canonical SMILES for 3-[2-(cyclopentylidenemethoxy)ethyl]oxetane is C(OCCC1COC1)=C1CCCC1.
What is the InChIKey of 3-[2-(cyclopentylidenemethoxy)ethyl]oxetane?
The InChIKey is DQMAQIHGHHQAJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-2-4-10(3-1)7-12-6-5-11-8-13-9-11/h7,11H,1-6,8-9H2.
What are the key properties of 3-[2-(cyclopentylidenemethoxy)ethyl]oxetane?
3-[2-(cyclopentylidenemethoxy)ethyl]oxetane has a molecular weight of 182.26 g/mol, XLogP of 2.50, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(cyclopentylidenemethoxy)ethyl]oxetane is sourced from PubChem (CID 176605026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).