2-(2-chloroethyl)-1,1-dimethylcyclopropane

C7H13Cl — CID 23269032

IUPAC2-(2-chloroethyl)-1,1-dimethylcyclopropane
SMILESCC1(C)CC1CCCl
InChIInChI=1S/C7H13Cl/c1-7(2)5-6(7)3-4-8/h6H,3-5H2,1-2H3
InChIKeySXHNYNVUPJXSRN-UHFFFAOYSA-N
MW132.63 g/mol
LogP2.66
Rot. Bonds2

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

2-(2-chloroethyl)-1,1-dimethylcyclopropane (PubChem CID 23269032) has the molecular formula C7H13Cl and a molecular weight of 132.63 g/mol. Its IUPAC name is 2-(2-chloroethyl)-1,1-dimethylcyclopropane.

Molecular Properties

Compound Name2-(2-chloroethyl)-1,1-dimethylcyclopropane
PubChem CID23269032
Molecular FormulaC7H13Cl
Molecular Weight132.63 g/mol
Exact Mass132.07
IUPAC Name2-(2-chloroethyl)-1,1-dimethylcyclopropane
SMILESCC1(C)CC1CCCl
InChIInChI=1S/C7H13Cl/c1-7(2)5-6(7)3-4-8/h6H,3-5H2,1-2H3
InChIKeySXHNYNVUPJXSRN-UHFFFAOYSA-N
XLogP2.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
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 2-(2-chloroethyl)-1,1-dimethylcyclopropane?
The IUPAC name of 2-(2-chloroethyl)-1,1-dimethylcyclopropane (CID 23269032) is 2-(2-chloroethyl)-1,1-dimethylcyclopropane.
What is the SMILES notation for 2-(2-chloroethyl)-1,1-dimethylcyclopropane?
The canonical SMILES for 2-(2-chloroethyl)-1,1-dimethylcyclopropane is CC1(C)CC1CCCl.
What is the InChIKey of 2-(2-chloroethyl)-1,1-dimethylcyclopropane?
The InChIKey is SXHNYNVUPJXSRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13Cl/c1-7(2)5-6(7)3-4-8/h6H,3-5H2,1-2H3.
What are the key properties of 2-(2-chloroethyl)-1,1-dimethylcyclopropane?
2-(2-chloroethyl)-1,1-dimethylcyclopropane has a molecular weight of 132.63 g/mol, XLogP of 2.66, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethyl)-1,1-dimethylcyclopropane is sourced from PubChem (CID 23269032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).