2-[3-(cyclopentylidenemethoxy)propyl]-2-ethyloxirane

C13H22O2 — CID 176603351

IUPAC2-[3-(cyclopentylidenemethoxy)propyl]-2-ethyloxirane
SMILESCCC1(CCCOC=C2CCCC2)CO1
InChIInChI=1S/C13H22O2/c1-2-13(11-15-13)8-5-9-14-10-12-6-3-4-7-12/h10H,2-9,11H2,1H3
InChIKeyZQDHFZDQJVSXLV-UHFFFAOYSA-N
MW210.32 g/mol
LogP3.42
Rot. Bonds6

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

2-[3-(cyclopentylidenemethoxy)propyl]-2-ethyloxirane (PubChem CID 176603351) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is 2-[3-(cyclopentylidenemethoxy)propyl]-2-ethyloxirane.

Molecular Properties

Compound Name2-[3-(cyclopentylidenemethoxy)propyl]-2-ethyloxirane
PubChem CID176603351
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Name2-[3-(cyclopentylidenemethoxy)propyl]-2-ethyloxirane
SMILESCCC1(CCCOC=C2CCCC2)CO1
InChIInChI=1S/C13H22O2/c1-2-13(11-15-13)8-5-9-14-10-12-6-3-4-7-12/h10H,2-9,11H2,1H3
InChIKeyZQDHFZDQJVSXLV-UHFFFAOYSA-N
XLogP3.42
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 53.42
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'}

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Related Compounds

2-Ethyl-2-[3-(2-methylprop-1-enoxy)propyl]oxirane
CID 150544683
2-[3-(Cyclopentylidenemethoxy)propyl]-2-ethyl-1,4-dioxane
CID 176603886
2-[3-(Cyclohexylidenemethoxy)propyl]-2-ethyloxirane
CID 176605163

Frequently Asked Questions

What is the IUPAC name of 2-[3-(cyclopentylidenemethoxy)propyl]-2-ethyloxirane?
The IUPAC name of 2-[3-(cyclopentylidenemethoxy)propyl]-2-ethyloxirane (CID 176603351) is 2-[3-(cyclopentylidenemethoxy)propyl]-2-ethyloxirane.
What is the SMILES notation for 2-[3-(cyclopentylidenemethoxy)propyl]-2-ethyloxirane?
The canonical SMILES for 2-[3-(cyclopentylidenemethoxy)propyl]-2-ethyloxirane is CCC1(CCCOC=C2CCCC2)CO1.
What is the InChIKey of 2-[3-(cyclopentylidenemethoxy)propyl]-2-ethyloxirane?
The InChIKey is ZQDHFZDQJVSXLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O2/c1-2-13(11-15-13)8-5-9-14-10-12-6-3-4-7-12/h10H,2-9,11H2,1H3.
What are the key properties of 2-[3-(cyclopentylidenemethoxy)propyl]-2-ethyloxirane?
2-[3-(cyclopentylidenemethoxy)propyl]-2-ethyloxirane has a molecular weight of 210.32 g/mol, XLogP of 3.42, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(cyclopentylidenemethoxy)propyl]-2-ethyloxirane is sourced from PubChem (CID 176603351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).