dichloromethylcyclopentane

C6H10Cl2 — CID 70354109

IUPACdichloromethylcyclopentane
SMILESClC(Cl)C1CCCC1
InChIInChI=1S/C6H10Cl2/c7-6(8)5-3-1-2-4-5/h5-6H,1-4H2
InChIKeyBOROJSBBTJGBRP-UHFFFAOYSA-N
MW153.05 g/mol
LogP2.98
Rot. Bonds1

About dichloromethylcyclopentane

dichloromethylcyclopentane (PubChem CID 70354109) has the molecular formula C6H10Cl2 and a molecular weight of 153.05 g/mol. Its IUPAC name is dichloromethylcyclopentane.

Molecular Properties

Compound Namedichloromethylcyclopentane
PubChem CID70354109
Molecular FormulaC6H10Cl2
Molecular Weight153.05 g/mol
Exact Mass152.02
IUPAC Namedichloromethylcyclopentane
SMILESClC(Cl)C1CCCC1
InChIInChI=1S/C6H10Cl2/c7-6(8)5-3-1-2-4-5/h5-6H,1-4H2
InChIKeyBOROJSBBTJGBRP-UHFFFAOYSA-N
XLogP2.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.05
LogP ≤ 52.98
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 dichloromethylcyclopentane?
The IUPAC name of dichloromethylcyclopentane (CID 70354109) is dichloromethylcyclopentane.
What is the SMILES notation for dichloromethylcyclopentane?
The canonical SMILES for dichloromethylcyclopentane is ClC(Cl)C1CCCC1.
What is the InChIKey of dichloromethylcyclopentane?
The InChIKey is BOROJSBBTJGBRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10Cl2/c7-6(8)5-3-1-2-4-5/h5-6H,1-4H2.
What are the key properties of dichloromethylcyclopentane?
dichloromethylcyclopentane has a molecular weight of 153.05 g/mol, XLogP of 2.98, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dichloromethylcyclopentane is sourced from PubChem (CID 70354109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).