1-but-3-enyl-3-chlorocyclopentane

C9H15Cl — CID 64515663

IUPAC1-but-3-enyl-3-chlorocyclopentane
SMILESC=CCCC1CCC(Cl)C1
InChIInChI=1S/C9H15Cl/c1-2-3-4-8-5-6-9(10)7-8/h2,8-9H,1,3-7H2
InChIKeyVEULNUIUYRJFQR-UHFFFAOYSA-N
MW158.67 g/mol
LogP3.36
Rot. Bonds3

About 1-but-3-enyl-3-chlorocyclopentane

1-but-3-enyl-3-chlorocyclopentane (PubChem CID 64515663) has the molecular formula C9H15Cl and a molecular weight of 158.67 g/mol. Its IUPAC name is 1-but-3-enyl-3-chlorocyclopentane.

Molecular Properties

Compound Name1-but-3-enyl-3-chlorocyclopentane
PubChem CID64515663
Molecular FormulaC9H15Cl
Molecular Weight158.67 g/mol
Exact Mass158.09
IUPAC Name1-but-3-enyl-3-chlorocyclopentane
SMILESC=CCCC1CCC(Cl)C1
InChIInChI=1S/C9H15Cl/c1-2-3-4-8-5-6-9(10)7-8/h2,8-9H,1,3-7H2
InChIKeyVEULNUIUYRJFQR-UHFFFAOYSA-N
XLogP3.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.67
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-but-3-enyl-3-chlorocyclopentane?
The IUPAC name of 1-but-3-enyl-3-chlorocyclopentane (CID 64515663) is 1-but-3-enyl-3-chlorocyclopentane.
What is the SMILES notation for 1-but-3-enyl-3-chlorocyclopentane?
The canonical SMILES for 1-but-3-enyl-3-chlorocyclopentane is C=CCCC1CCC(Cl)C1.
What is the InChIKey of 1-but-3-enyl-3-chlorocyclopentane?
The InChIKey is VEULNUIUYRJFQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15Cl/c1-2-3-4-8-5-6-9(10)7-8/h2,8-9H,1,3-7H2.
What are the key properties of 1-but-3-enyl-3-chlorocyclopentane?
1-but-3-enyl-3-chlorocyclopentane has a molecular weight of 158.67 g/mol, XLogP of 3.36, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-3-enyl-3-chlorocyclopentane is sourced from PubChem (CID 64515663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).