2-[3-(cyclopentylidenemethoxy)propyl]oxirane

C11H18O2 — CID 176605295

IUPAC2-[3-(cyclopentylidenemethoxy)propyl]oxirane
SMILESC(OCCCC1CO1)=C1CCCC1
InChIInChI=1S/C11H18O2/c1-2-5-10(4-1)8-12-7-3-6-11-9-13-11/h8,11H,1-7,9H2
InChIKeyGDZBXCIELVQBIW-UHFFFAOYSA-N
MW182.26 g/mol
LogP2.64
Rot. Bonds5

About 2-[3-(cyclopentylidenemethoxy)propyl]oxirane

2-[3-(cyclopentylidenemethoxy)propyl]oxirane (PubChem CID 176605295) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is 2-[3-(cyclopentylidenemethoxy)propyl]oxirane.

Molecular Properties

Compound Name2-[3-(cyclopentylidenemethoxy)propyl]oxirane
PubChem CID176605295
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name2-[3-(cyclopentylidenemethoxy)propyl]oxirane
SMILESC(OCCCC1CO1)=C1CCCC1
InChIInChI=1S/C11H18O2/c1-2-5-10(4-1)8-12-7-3-6-11-9-13-11/h8,11H,1-7,9H2
InChIKeyGDZBXCIELVQBIW-UHFFFAOYSA-N
XLogP2.64
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.64
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'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 2-[3-(cyclopentylidenemethoxy)propyl]oxirane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-(2-Methylprop-1-enoxy)propyl]oxirane
CID 150134576
2-[2-(Cyclopentylidenemethoxy)ethyl]oxirane
CID 176604198
2-[3-(Cyclohexylidenemethoxy)propyl]oxirane
CID 176605059

Frequently Asked Questions

What is the IUPAC name of 2-[3-(cyclopentylidenemethoxy)propyl]oxirane?
The IUPAC name of 2-[3-(cyclopentylidenemethoxy)propyl]oxirane (CID 176605295) is 2-[3-(cyclopentylidenemethoxy)propyl]oxirane.
What is the SMILES notation for 2-[3-(cyclopentylidenemethoxy)propyl]oxirane?
The canonical SMILES for 2-[3-(cyclopentylidenemethoxy)propyl]oxirane is C(OCCCC1CO1)=C1CCCC1.
What is the InChIKey of 2-[3-(cyclopentylidenemethoxy)propyl]oxirane?
The InChIKey is GDZBXCIELVQBIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-2-5-10(4-1)8-12-7-3-6-11-9-13-11/h8,11H,1-7,9H2.
What are the key properties of 2-[3-(cyclopentylidenemethoxy)propyl]oxirane?
2-[3-(cyclopentylidenemethoxy)propyl]oxirane has a molecular weight of 182.26 g/mol, XLogP of 2.64, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(cyclopentylidenemethoxy)propyl]oxirane is sourced from PubChem (CID 176605295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).