2-(chloromethyl)-1,1-dimethylcyclopropane

C6H11Cl — CID 12627051

IUPAC2-(chloromethyl)-1,1-dimethylcyclopropane
SMILESCC1(C)CC1CCl
InChIInChI=1S/C6H11Cl/c1-6(2)3-5(6)4-7/h5H,3-4H2,1-2H3
InChIKeySBOXFMREEQHVKG-UHFFFAOYSA-N
MW118.61 g/mol
LogP2.27
Rot. Bonds1

About 2-(chloromethyl)-1,1-dimethylcyclopropane

2-(chloromethyl)-1,1-dimethylcyclopropane (PubChem CID 12627051) has the molecular formula C6H11Cl and a molecular weight of 118.61 g/mol. Its IUPAC name is 2-(chloromethyl)-1,1-dimethylcyclopropane.

Molecular Properties

Compound Name2-(chloromethyl)-1,1-dimethylcyclopropane
PubChem CID12627051
Molecular FormulaC6H11Cl
Molecular Weight118.61 g/mol
Exact Mass118.05
IUPAC Name2-(chloromethyl)-1,1-dimethylcyclopropane
SMILESCC1(C)CC1CCl
InChIInChI=1S/C6H11Cl/c1-6(2)3-5(6)4-7/h5H,3-4H2,1-2H3
InChIKeySBOXFMREEQHVKG-UHFFFAOYSA-N
XLogP2.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.61
LogP ≤ 52.27
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-(chloromethyl)-1,1-dimethylcyclopropane?
The IUPAC name of 2-(chloromethyl)-1,1-dimethylcyclopropane (CID 12627051) is 2-(chloromethyl)-1,1-dimethylcyclopropane.
What is the SMILES notation for 2-(chloromethyl)-1,1-dimethylcyclopropane?
The canonical SMILES for 2-(chloromethyl)-1,1-dimethylcyclopropane is CC1(C)CC1CCl.
What is the InChIKey of 2-(chloromethyl)-1,1-dimethylcyclopropane?
The InChIKey is SBOXFMREEQHVKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11Cl/c1-6(2)3-5(6)4-7/h5H,3-4H2,1-2H3.
What are the key properties of 2-(chloromethyl)-1,1-dimethylcyclopropane?
2-(chloromethyl)-1,1-dimethylcyclopropane has a molecular weight of 118.61 g/mol, XLogP of 2.27, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-1,1-dimethylcyclopropane is sourced from PubChem (CID 12627051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).