1-(chloromethyl)-1,3-dimethylcyclobutane

C7H13Cl — CID 164652418

IUPAC1-(chloromethyl)-1,3-dimethylcyclobutane
SMILESCC1CC(C)(CCl)C1
InChIInChI=1S/C7H13Cl/c1-6-3-7(2,4-6)5-8/h6H,3-5H2,1-2H3
InChIKeyPOCJLFUXKSDAFR-UHFFFAOYSA-N
MW132.63 g/mol
LogP2.66
Rot. Bonds1

About 1-(chloromethyl)-1,3-dimethylcyclobutane

1-(chloromethyl)-1,3-dimethylcyclobutane (PubChem CID 164652418) has the molecular formula C7H13Cl and a molecular weight of 132.63 g/mol. Its IUPAC name is 1-(chloromethyl)-1,3-dimethylcyclobutane.

Molecular Properties

Compound Name1-(chloromethyl)-1,3-dimethylcyclobutane
PubChem CID164652418
Molecular FormulaC7H13Cl
Molecular Weight132.63 g/mol
Exact Mass132.07
IUPAC Name1-(chloromethyl)-1,3-dimethylcyclobutane
SMILESCC1CC(C)(CCl)C1
InChIInChI=1S/C7H13Cl/c1-6-3-7(2,4-6)5-8/h6H,3-5H2,1-2H3
InChIKeyPOCJLFUXKSDAFR-UHFFFAOYSA-N
XLogP2.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.63
LogP ≤ 52.66
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-(chloromethyl)-1,3-dimethylcyclobutane?
The IUPAC name of 1-(chloromethyl)-1,3-dimethylcyclobutane (CID 164652418) is 1-(chloromethyl)-1,3-dimethylcyclobutane.
What is the SMILES notation for 1-(chloromethyl)-1,3-dimethylcyclobutane?
The canonical SMILES for 1-(chloromethyl)-1,3-dimethylcyclobutane is CC1CC(C)(CCl)C1.
What is the InChIKey of 1-(chloromethyl)-1,3-dimethylcyclobutane?
The InChIKey is POCJLFUXKSDAFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13Cl/c1-6-3-7(2,4-6)5-8/h6H,3-5H2,1-2H3.
What are the key properties of 1-(chloromethyl)-1,3-dimethylcyclobutane?
1-(chloromethyl)-1,3-dimethylcyclobutane has a molecular weight of 132.63 g/mol, XLogP of 2.66, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(chloromethyl)-1,3-dimethylcyclobutane is sourced from PubChem (CID 164652418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).