2-chloropropylcyclopentane

C8H15Cl — CID 21490605

IUPAC2-chloropropylcyclopentane
SMILESCC(Cl)CC1CCCC1
InChIInChI=1S/C8H15Cl/c1-7(9)6-8-4-2-3-5-8/h7-8H,2-6H2,1H3
InChIKeyBUQJNTULNWJXLI-UHFFFAOYSA-N
MW146.66 g/mol
LogP3.19
Rot. Bonds2

About 2-chloropropylcyclopentane

2-chloropropylcyclopentane (PubChem CID 21490605) has the molecular formula C8H15Cl and a molecular weight of 146.66 g/mol. Its IUPAC name is 2-chloropropylcyclopentane.

Molecular Properties

Compound Name2-chloropropylcyclopentane
PubChem CID21490605
Molecular FormulaC8H15Cl
Molecular Weight146.66 g/mol
Exact Mass146.09
IUPAC Name2-chloropropylcyclopentane
SMILESCC(Cl)CC1CCCC1
InChIInChI=1S/C8H15Cl/c1-7(9)6-8-4-2-3-5-8/h7-8H,2-6H2,1H3
InChIKeyBUQJNTULNWJXLI-UHFFFAOYSA-N
XLogP3.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.66
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloropropylcyclopentane?
The IUPAC name of 2-chloropropylcyclopentane (CID 21490605) is 2-chloropropylcyclopentane.
What is the SMILES notation for 2-chloropropylcyclopentane?
The canonical SMILES for 2-chloropropylcyclopentane is CC(Cl)CC1CCCC1.
What is the InChIKey of 2-chloropropylcyclopentane?
The InChIKey is BUQJNTULNWJXLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15Cl/c1-7(9)6-8-4-2-3-5-8/h7-8H,2-6H2,1H3.
What are the key properties of 2-chloropropylcyclopentane?
2-chloropropylcyclopentane has a molecular weight of 146.66 g/mol, XLogP of 3.19, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloropropylcyclopentane is sourced from PubChem (CID 21490605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).