1,2-bis(chloromethyl)cyclopentane

C7H12Cl2 — CID 13129029

IUPAC1,2-bis(chloromethyl)cyclopentane
SMILESClCC1CCCC1CCl
InChIInChI=1S/C7H12Cl2/c8-4-6-2-1-3-7(6)5-9/h6-7H,1-5H2
InChIKeyYYIOMTOOMISDNU-UHFFFAOYSA-N
MW167.08 g/mol
LogP2.88
Rot. Bonds2

About 1,2-bis(chloromethyl)cyclopentane

1,2-bis(chloromethyl)cyclopentane (PubChem CID 13129029) has the molecular formula C7H12Cl2 and a molecular weight of 167.08 g/mol. Its IUPAC name is 1,2-bis(chloromethyl)cyclopentane.

Molecular Properties

Compound Name1,2-bis(chloromethyl)cyclopentane
PubChem CID13129029
Molecular FormulaC7H12Cl2
Molecular Weight167.08 g/mol
Exact Mass166.03
IUPAC Name1,2-bis(chloromethyl)cyclopentane
SMILESClCC1CCCC1CCl
InChIInChI=1S/C7H12Cl2/c8-4-6-2-1-3-7(6)5-9/h6-7H,1-5H2
InChIKeyYYIOMTOOMISDNU-UHFFFAOYSA-N
XLogP2.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.08
LogP ≤ 52.88
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 1,2-bis(chloromethyl)cyclopentane?
The IUPAC name of 1,2-bis(chloromethyl)cyclopentane (CID 13129029) is 1,2-bis(chloromethyl)cyclopentane.
What is the SMILES notation for 1,2-bis(chloromethyl)cyclopentane?
The canonical SMILES for 1,2-bis(chloromethyl)cyclopentane is ClCC1CCCC1CCl.
What is the InChIKey of 1,2-bis(chloromethyl)cyclopentane?
The InChIKey is YYIOMTOOMISDNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12Cl2/c8-4-6-2-1-3-7(6)5-9/h6-7H,1-5H2.
What are the key properties of 1,2-bis(chloromethyl)cyclopentane?
1,2-bis(chloromethyl)cyclopentane has a molecular weight of 167.08 g/mol, XLogP of 2.88, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(chloromethyl)cyclopentane is sourced from PubChem (CID 13129029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).