1-(chloromethyl)-2-(2-methylpropyl)cyclopropane

C8H15Cl — CID 81357896

IUPAC1-(chloromethyl)-2-(2-methylpropyl)cyclopropane
SMILESCC(C)CC1CC1CCl
InChIInChI=1S/C8H15Cl/c1-6(2)3-7-4-8(7)5-9/h6-8H,3-5H2,1-2H3
InChIKeyWNMRJFMKDZUOAX-UHFFFAOYSA-N
MW146.66 g/mol
LogP2.91
Rot. Bonds3

About 1-(chloromethyl)-2-(2-methylpropyl)cyclopropane

1-(chloromethyl)-2-(2-methylpropyl)cyclopropane (PubChem CID 81357896) has the molecular formula C8H15Cl and a molecular weight of 146.66 g/mol. Its IUPAC name is 1-(chloromethyl)-2-(2-methylpropyl)cyclopropane.

Molecular Properties

Compound Name1-(chloromethyl)-2-(2-methylpropyl)cyclopropane
PubChem CID81357896
Molecular FormulaC8H15Cl
Molecular Weight146.66 g/mol
Exact Mass146.09
IUPAC Name1-(chloromethyl)-2-(2-methylpropyl)cyclopropane
SMILESCC(C)CC1CC1CCl
InChIInChI=1S/C8H15Cl/c1-6(2)3-7-4-8(7)5-9/h6-8H,3-5H2,1-2H3
InChIKeyWNMRJFMKDZUOAX-UHFFFAOYSA-N
XLogP2.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.66
LogP ≤ 52.91
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-(chloromethyl)-2-(2-methylpropyl)cyclopropane?
The IUPAC name of 1-(chloromethyl)-2-(2-methylpropyl)cyclopropane (CID 81357896) is 1-(chloromethyl)-2-(2-methylpropyl)cyclopropane.
What is the SMILES notation for 1-(chloromethyl)-2-(2-methylpropyl)cyclopropane?
The canonical SMILES for 1-(chloromethyl)-2-(2-methylpropyl)cyclopropane is CC(C)CC1CC1CCl.
What is the InChIKey of 1-(chloromethyl)-2-(2-methylpropyl)cyclopropane?
The InChIKey is WNMRJFMKDZUOAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15Cl/c1-6(2)3-7-4-8(7)5-9/h6-8H,3-5H2,1-2H3.
What are the key properties of 1-(chloromethyl)-2-(2-methylpropyl)cyclopropane?
1-(chloromethyl)-2-(2-methylpropyl)cyclopropane has a molecular weight of 146.66 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(chloromethyl)-2-(2-methylpropyl)cyclopropane is sourced from PubChem (CID 81357896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).