1-[4-(1-ethoxyethoxy)butyl]cyclopentene

C13H24O2 — CID 139263562

IUPAC1-[4-(1-ethoxyethoxy)butyl]cyclopentene
SMILESCCOC(C)OCCCCC1=CCCC1
InChIInChI=1S/C13H24O2/c1-3-14-12(2)15-11-7-6-10-13-8-4-5-9-13/h8,12H,3-7,9-11H2,1-2H3
InChIKeyAGWRJQJHWHHLOG-UHFFFAOYSA-N
MW212.33 g/mol
LogP3.67
Rot. Bonds8

About 1-[4-(1-ethoxyethoxy)butyl]cyclopentene

1-[4-(1-ethoxyethoxy)butyl]cyclopentene (PubChem CID 139263562) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is 1-[4-(1-ethoxyethoxy)butyl]cyclopentene.

Molecular Properties

Compound Name1-[4-(1-ethoxyethoxy)butyl]cyclopentene
PubChem CID139263562
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Name1-[4-(1-ethoxyethoxy)butyl]cyclopentene
SMILESCCOC(C)OCCCCC1=CCCC1
InChIInChI=1S/C13H24O2/c1-3-14-12(2)15-11-7-6-10-13-8-4-5-9-13/h8,12H,3-7,9-11H2,1-2H3
InChIKeyAGWRJQJHWHHLOG-UHFFFAOYSA-N
XLogP3.67
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.33
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-ethoxyethoxy)butyl]cyclopentene?
The IUPAC name of 1-[4-(1-ethoxyethoxy)butyl]cyclopentene (CID 139263562) is 1-[4-(1-ethoxyethoxy)butyl]cyclopentene.
What is the SMILES notation for 1-[4-(1-ethoxyethoxy)butyl]cyclopentene?
The canonical SMILES for 1-[4-(1-ethoxyethoxy)butyl]cyclopentene is CCOC(C)OCCCCC1=CCCC1.
What is the InChIKey of 1-[4-(1-ethoxyethoxy)butyl]cyclopentene?
The InChIKey is AGWRJQJHWHHLOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O2/c1-3-14-12(2)15-11-7-6-10-13-8-4-5-9-13/h8,12H,3-7,9-11H2,1-2H3.
What are the key properties of 1-[4-(1-ethoxyethoxy)butyl]cyclopentene?
1-[4-(1-ethoxyethoxy)butyl]cyclopentene has a molecular weight of 212.33 g/mol, XLogP of 3.67, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-ethoxyethoxy)butyl]cyclopentene is sourced from PubChem (CID 139263562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).