2-(chloromethyl)-1-ethyl-1-methylcyclopropane

C7H13Cl — CID 81358533

IUPAC2-(chloromethyl)-1-ethyl-1-methylcyclopropane
SMILESCCC1(C)CC1CCl
InChIInChI=1S/C7H13Cl/c1-3-7(2)4-6(7)5-8/h6H,3-5H2,1-2H3
InChIKeyORPVEKZNLQQYAA-UHFFFAOYSA-N
MW132.63 g/mol
LogP2.66
Rot. Bonds2

About 2-(chloromethyl)-1-ethyl-1-methylcyclopropane

2-(chloromethyl)-1-ethyl-1-methylcyclopropane (PubChem CID 81358533) has the molecular formula C7H13Cl and a molecular weight of 132.63 g/mol. Its IUPAC name is 2-(chloromethyl)-1-ethyl-1-methylcyclopropane.

Molecular Properties

Compound Name2-(chloromethyl)-1-ethyl-1-methylcyclopropane
PubChem CID81358533
Molecular FormulaC7H13Cl
Molecular Weight132.63 g/mol
Exact Mass132.07
IUPAC Name2-(chloromethyl)-1-ethyl-1-methylcyclopropane
SMILESCCC1(C)CC1CCl
InChIInChI=1S/C7H13Cl/c1-3-7(2)4-6(7)5-8/h6H,3-5H2,1-2H3
InChIKeyORPVEKZNLQQYAA-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-(chloromethyl)-1-ethyl-1-methylcyclopropane?
The IUPAC name of 2-(chloromethyl)-1-ethyl-1-methylcyclopropane (CID 81358533) is 2-(chloromethyl)-1-ethyl-1-methylcyclopropane.
What is the SMILES notation for 2-(chloromethyl)-1-ethyl-1-methylcyclopropane?
The canonical SMILES for 2-(chloromethyl)-1-ethyl-1-methylcyclopropane is CCC1(C)CC1CCl.
What is the InChIKey of 2-(chloromethyl)-1-ethyl-1-methylcyclopropane?
The InChIKey is ORPVEKZNLQQYAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13Cl/c1-3-7(2)4-6(7)5-8/h6H,3-5H2,1-2H3.
What are the key properties of 2-(chloromethyl)-1-ethyl-1-methylcyclopropane?
2-(chloromethyl)-1-ethyl-1-methylcyclopropane 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-(chloromethyl)-1-ethyl-1-methylcyclopropane is sourced from PubChem (CID 81358533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).