1-(1-butoxyethenyl)cyclopentene

C11H18O — CID 14296313

IUPAC1-(1-butoxyethenyl)cyclopentene
SMILESC=C(OCCCC)C1=CCCC1
InChIInChI=1S/C11H18O/c1-3-4-9-12-10(2)11-7-5-6-8-11/h7H,2-6,8-9H2,1H3
InChIKeyAIQXXSJLPXHQHC-UHFFFAOYSA-N
MW166.26 g/mol
LogP3.43
Rot. Bonds5

About 1-(1-butoxyethenyl)cyclopentene

1-(1-butoxyethenyl)cyclopentene (PubChem CID 14296313) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is 1-(1-butoxyethenyl)cyclopentene.

Molecular Properties

Compound Name1-(1-butoxyethenyl)cyclopentene
PubChem CID14296313
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name1-(1-butoxyethenyl)cyclopentene
SMILESC=C(OCCCC)C1=CCCC1
InChIInChI=1S/C11H18O/c1-3-4-9-12-10(2)11-7-5-6-8-11/h7H,2-6,8-9H2,1H3
InChIKeyAIQXXSJLPXHQHC-UHFFFAOYSA-N
XLogP3.43
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 1-(1-butoxyethenyl)cyclopentene?
The IUPAC name of 1-(1-butoxyethenyl)cyclopentene (CID 14296313) is 1-(1-butoxyethenyl)cyclopentene.
What is the SMILES notation for 1-(1-butoxyethenyl)cyclopentene?
The canonical SMILES for 1-(1-butoxyethenyl)cyclopentene is C=C(OCCCC)C1=CCCC1.
What is the InChIKey of 1-(1-butoxyethenyl)cyclopentene?
The InChIKey is AIQXXSJLPXHQHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O/c1-3-4-9-12-10(2)11-7-5-6-8-11/h7H,2-6,8-9H2,1H3.
What are the key properties of 1-(1-butoxyethenyl)cyclopentene?
1-(1-butoxyethenyl)cyclopentene has a molecular weight of 166.26 g/mol, XLogP of 3.43, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-butoxyethenyl)cyclopentene is sourced from PubChem (CID 14296313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).