1-but-2-enyl-2-chlorocyclopentane

C9H15Cl — CID 137320262

IUPAC1-but-2-enyl-2-chlorocyclopentane
SMILESCC=CCC1CCCC1Cl
InChIInChI=1S/C9H15Cl/c1-2-3-5-8-6-4-7-9(8)10/h2-3,8-9H,4-7H2,1H3
InChIKeyUZEOJAMZNSKXEY-UHFFFAOYSA-N
MW158.67 g/mol
LogP3.36
Rot. Bonds2

About 1-but-2-enyl-2-chlorocyclopentane

1-but-2-enyl-2-chlorocyclopentane (PubChem CID 137320262) has the molecular formula C9H15Cl and a molecular weight of 158.67 g/mol. Its IUPAC name is 1-but-2-enyl-2-chlorocyclopentane.

Molecular Properties

Compound Name1-but-2-enyl-2-chlorocyclopentane
PubChem CID137320262
Molecular FormulaC9H15Cl
Molecular Weight158.67 g/mol
Exact Mass158.09
IUPAC Name1-but-2-enyl-2-chlorocyclopentane
SMILESCC=CCC1CCCC1Cl
InChIInChI=1S/C9H15Cl/c1-2-3-5-8-6-4-7-9(8)10/h2-3,8-9H,4-7H2,1H3
InChIKeyUZEOJAMZNSKXEY-UHFFFAOYSA-N
XLogP3.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
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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Related Compounds

1-[(E)-but-2-enyl]-2-methylcyclohexane;ethane
CID 143661661
1-[(Z)-but-2-enyl]-2-methylcyclopropane
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(2S)-1-but-2-enyl-2-methylcyclopropane
CID 59524462
2-but-2-enylcyclobutan-1-ol
CID 71372115
1-but-2-enyl-2-[4-(4-ethylcyclohexyl)butyl]cyclohexane
CID 56983948
1-chloro-2-(3-methylbutyl)cycloheptane
CID 63459310
N-[[(1S)-2-chlorocyclopentyl]methylsulfanyl]methanamine
CID 171766663
4-[(2-chlorocyclopentyl)methyl]-1,1-dimethylcyclohexane
CID 130596602
N-[(E)-but-2-enyl]-N-cyclohexylcyclohexanamine
CID 12968074
(1S)-1-chloro-3-ethyl-2-fluorocyclohexane
CID 126639152
1-chloro-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclopentane
CID 112591267
(1Z,5Z)-9-but-2-enylcyclododeca-1,5-diene
CID 173246216

Frequently Asked Questions

What is the IUPAC name of 1-but-2-enyl-2-chlorocyclopentane?
The IUPAC name of 1-but-2-enyl-2-chlorocyclopentane (CID 137320262) is 1-but-2-enyl-2-chlorocyclopentane.
What is the SMILES notation for 1-but-2-enyl-2-chlorocyclopentane?
The canonical SMILES for 1-but-2-enyl-2-chlorocyclopentane is CC=CCC1CCCC1Cl.
What is the InChIKey of 1-but-2-enyl-2-chlorocyclopentane?
The InChIKey is UZEOJAMZNSKXEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15Cl/c1-2-3-5-8-6-4-7-9(8)10/h2-3,8-9H,4-7H2,1H3.
What are the key properties of 1-but-2-enyl-2-chlorocyclopentane?
1-but-2-enyl-2-chlorocyclopentane has a molecular weight of 158.67 g/mol, XLogP of 3.36, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-2-enyl-2-chlorocyclopentane is sourced from PubChem (CID 137320262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).