3-(chloromethyl)-1,1,2,2-tetramethylcyclopropane

C8H15Cl — CID 55302479

IUPAC3-(chloromethyl)-1,1,2,2-tetramethylcyclopropane
SMILESCC1(C)C(CCl)C1(C)C
InChIInChI=1S/C8H15Cl/c1-7(2)6(5-9)8(7,3)4/h6H,5H2,1-4H3
InChIKeyRNWDFFPZOVQXBH-UHFFFAOYSA-N
MW146.66 g/mol
LogP2.91
Rot. Bonds1

About 3-(chloromethyl)-1,1,2,2-tetramethylcyclopropane

3-(chloromethyl)-1,1,2,2-tetramethylcyclopropane (PubChem CID 55302479) has the molecular formula C8H15Cl and a molecular weight of 146.66 g/mol. Its IUPAC name is 3-(chloromethyl)-1,1,2,2-tetramethylcyclopropane.

Molecular Properties

Compound Name3-(chloromethyl)-1,1,2,2-tetramethylcyclopropane
PubChem CID55302479
Molecular FormulaC8H15Cl
Molecular Weight146.66 g/mol
Exact Mass146.09
IUPAC Name3-(chloromethyl)-1,1,2,2-tetramethylcyclopropane
SMILESCC1(C)C(CCl)C1(C)C
InChIInChI=1S/C8H15Cl/c1-7(2)6(5-9)8(7,3)4/h6H,5H2,1-4H3
InChIKeyRNWDFFPZOVQXBH-UHFFFAOYSA-N
XLogP2.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.66
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 3-(chloromethyl)-1,1,2,2-tetramethylcyclopropane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-1,1,2,2-tetramethylcyclopropane?
The IUPAC name of 3-(chloromethyl)-1,1,2,2-tetramethylcyclopropane (CID 55302479) is 3-(chloromethyl)-1,1,2,2-tetramethylcyclopropane.
What is the SMILES notation for 3-(chloromethyl)-1,1,2,2-tetramethylcyclopropane?
The canonical SMILES for 3-(chloromethyl)-1,1,2,2-tetramethylcyclopropane is CC1(C)C(CCl)C1(C)C.
What is the InChIKey of 3-(chloromethyl)-1,1,2,2-tetramethylcyclopropane?
The InChIKey is RNWDFFPZOVQXBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15Cl/c1-7(2)6(5-9)8(7,3)4/h6H,5H2,1-4H3.
What are the key properties of 3-(chloromethyl)-1,1,2,2-tetramethylcyclopropane?
3-(chloromethyl)-1,1,2,2-tetramethylcyclopropane has a molecular weight of 146.66 g/mol, XLogP of 2.91, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-1,1,2,2-tetramethylcyclopropane is sourced from PubChem (CID 55302479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).