3-(cyclopentylidenemethoxymethyl)-3-methyloxetane

C11H18O2 — CID 176605194

IUPAC3-(cyclopentylidenemethoxymethyl)-3-methyloxetane
SMILESCC1(COC=C2CCCC2)COC1
InChIInChI=1S/C11H18O2/c1-11(8-13-9-11)7-12-6-10-4-2-3-5-10/h6H,2-5,7-9H2,1H3
InChIKeyFVESMNGJMMYOME-UHFFFAOYSA-N
MW182.26 g/mol
LogP2.50
Rot. Bonds3

About 3-(cyclopentylidenemethoxymethyl)-3-methyloxetane

3-(cyclopentylidenemethoxymethyl)-3-methyloxetane (PubChem CID 176605194) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is 3-(cyclopentylidenemethoxymethyl)-3-methyloxetane.

Molecular Properties

Compound Name3-(cyclopentylidenemethoxymethyl)-3-methyloxetane
PubChem CID176605194
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name3-(cyclopentylidenemethoxymethyl)-3-methyloxetane
SMILESCC1(COC=C2CCCC2)COC1
InChIInChI=1S/C11H18O2/c1-11(8-13-9-11)7-12-6-10-4-2-3-5-10/h6H,2-5,7-9H2,1H3
InChIKeyFVESMNGJMMYOME-UHFFFAOYSA-N
XLogP2.50
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
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'}

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclopentylidenemethoxymethyl)-3-methyloxetane?
The IUPAC name of 3-(cyclopentylidenemethoxymethyl)-3-methyloxetane (CID 176605194) is 3-(cyclopentylidenemethoxymethyl)-3-methyloxetane.
What is the SMILES notation for 3-(cyclopentylidenemethoxymethyl)-3-methyloxetane?
The canonical SMILES for 3-(cyclopentylidenemethoxymethyl)-3-methyloxetane is CC1(COC=C2CCCC2)COC1.
What is the InChIKey of 3-(cyclopentylidenemethoxymethyl)-3-methyloxetane?
The InChIKey is FVESMNGJMMYOME-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-11(8-13-9-11)7-12-6-10-4-2-3-5-10/h6H,2-5,7-9H2,1H3.
What are the key properties of 3-(cyclopentylidenemethoxymethyl)-3-methyloxetane?
3-(cyclopentylidenemethoxymethyl)-3-methyloxetane has a molecular weight of 182.26 g/mol, XLogP of 2.50, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopentylidenemethoxymethyl)-3-methyloxetane is sourced from PubChem (CID 176605194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).