1-(2-chloroethyl)-2-methylcyclopropane

C6H11Cl — CID 13040280

IUPAC1-(2-chloroethyl)-2-methylcyclopropane
SMILESCC1CC1CCCl
InChIInChI=1S/C6H11Cl/c1-5-4-6(5)2-3-7/h5-6H,2-4H2,1H3
InChIKeyBZFSHRHCHJPVTD-UHFFFAOYSA-N
MW118.61 g/mol
LogP2.27
Rot. Bonds2

About 1-(2-chloroethyl)-2-methylcyclopropane

1-(2-chloroethyl)-2-methylcyclopropane (PubChem CID 13040280) has the molecular formula C6H11Cl and a molecular weight of 118.61 g/mol. Its IUPAC name is 1-(2-chloroethyl)-2-methylcyclopropane.

Molecular Properties

Compound Name1-(2-chloroethyl)-2-methylcyclopropane
PubChem CID13040280
Molecular FormulaC6H11Cl
Molecular Weight118.61 g/mol
Exact Mass118.05
IUPAC Name1-(2-chloroethyl)-2-methylcyclopropane
SMILESCC1CC1CCCl
InChIInChI=1S/C6H11Cl/c1-5-4-6(5)2-3-7/h5-6H,2-4H2,1H3
InChIKeyBZFSHRHCHJPVTD-UHFFFAOYSA-N
XLogP2.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
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 1-(2-chloroethyl)-2-methylcyclopropane?
The IUPAC name of 1-(2-chloroethyl)-2-methylcyclopropane (CID 13040280) is 1-(2-chloroethyl)-2-methylcyclopropane.
What is the SMILES notation for 1-(2-chloroethyl)-2-methylcyclopropane?
The canonical SMILES for 1-(2-chloroethyl)-2-methylcyclopropane is CC1CC1CCCl.
What is the InChIKey of 1-(2-chloroethyl)-2-methylcyclopropane?
The InChIKey is BZFSHRHCHJPVTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11Cl/c1-5-4-6(5)2-3-7/h5-6H,2-4H2,1H3.
What are the key properties of 1-(2-chloroethyl)-2-methylcyclopropane?
1-(2-chloroethyl)-2-methylcyclopropane has a molecular weight of 118.61 g/mol, XLogP of 2.27, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloroethyl)-2-methylcyclopropane is sourced from PubChem (CID 13040280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).