2-chloro-1-ethyl-1-methylcyclopropane

C6H11Cl — CID 544586

IUPAC2-chloro-1-ethyl-1-methylcyclopropane
SMILESCCC1(C)CC1Cl
InChIInChI=1S/C6H11Cl/c1-3-6(2)4-5(6)7/h5H,3-4H2,1-2H3
InChIKeyKQUOTZVUIAGCSG-UHFFFAOYSA-N
MW118.61 g/mol
LogP2.41
Rot. Bonds1

About 2-chloro-1-ethyl-1-methylcyclopropane

2-chloro-1-ethyl-1-methylcyclopropane (PubChem CID 544586) has the molecular formula C6H11Cl and a molecular weight of 118.61 g/mol. Its IUPAC name is 2-chloro-1-ethyl-1-methylcyclopropane.

Molecular Properties

Compound Name2-chloro-1-ethyl-1-methylcyclopropane
PubChem CID544586
Molecular FormulaC6H11Cl
Molecular Weight118.61 g/mol
Exact Mass118.05
IUPAC Name2-chloro-1-ethyl-1-methylcyclopropane
SMILESCCC1(C)CC1Cl
InChIInChI=1S/C6H11Cl/c1-3-6(2)4-5(6)7/h5H,3-4H2,1-2H3
InChIKeyKQUOTZVUIAGCSG-UHFFFAOYSA-N
XLogP2.41
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 ≤ 52.41
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-chloro-1-ethyl-1-methylcyclopropane?
The IUPAC name of 2-chloro-1-ethyl-1-methylcyclopropane (CID 544586) is 2-chloro-1-ethyl-1-methylcyclopropane.
What is the SMILES notation for 2-chloro-1-ethyl-1-methylcyclopropane?
The canonical SMILES for 2-chloro-1-ethyl-1-methylcyclopropane is CCC1(C)CC1Cl.
What is the InChIKey of 2-chloro-1-ethyl-1-methylcyclopropane?
The InChIKey is KQUOTZVUIAGCSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11Cl/c1-3-6(2)4-5(6)7/h5H,3-4H2,1-2H3.
What are the key properties of 2-chloro-1-ethyl-1-methylcyclopropane?
2-chloro-1-ethyl-1-methylcyclopropane has a molecular weight of 118.61 g/mol, XLogP of 2.41, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-ethyl-1-methylcyclopropane is sourced from PubChem (CID 544586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).