2-(chloromethyl)-1-methyl-1-propan-2-ylcyclopropane

C8H15Cl — CID 81358210

IUPAC2-(chloromethyl)-1-methyl-1-propan-2-ylcyclopropane
SMILESCC(C)C1(C)CC1CCl
InChIInChI=1S/C8H15Cl/c1-6(2)8(3)4-7(8)5-9/h6-7H,4-5H2,1-3H3
InChIKeyZMVLULMWZWXMMX-UHFFFAOYSA-N
MW146.66 g/mol
LogP2.91
Rot. Bonds2

About 2-(chloromethyl)-1-methyl-1-propan-2-ylcyclopropane

2-(chloromethyl)-1-methyl-1-propan-2-ylcyclopropane (PubChem CID 81358210) has the molecular formula C8H15Cl and a molecular weight of 146.66 g/mol. Its IUPAC name is 2-(chloromethyl)-1-methyl-1-propan-2-ylcyclopropane.

Molecular Properties

Compound Name2-(chloromethyl)-1-methyl-1-propan-2-ylcyclopropane
PubChem CID81358210
Molecular FormulaC8H15Cl
Molecular Weight146.66 g/mol
Exact Mass146.09
IUPAC Name2-(chloromethyl)-1-methyl-1-propan-2-ylcyclopropane
SMILESCC(C)C1(C)CC1CCl
InChIInChI=1S/C8H15Cl/c1-6(2)8(3)4-7(8)5-9/h6-7H,4-5H2,1-3H3
InChIKeyZMVLULMWZWXMMX-UHFFFAOYSA-N
XLogP2.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
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 2-(chloromethyl)-1-methyl-1-propan-2-ylcyclopropane?
The IUPAC name of 2-(chloromethyl)-1-methyl-1-propan-2-ylcyclopropane (CID 81358210) is 2-(chloromethyl)-1-methyl-1-propan-2-ylcyclopropane.
What is the SMILES notation for 2-(chloromethyl)-1-methyl-1-propan-2-ylcyclopropane?
The canonical SMILES for 2-(chloromethyl)-1-methyl-1-propan-2-ylcyclopropane is CC(C)C1(C)CC1CCl.
What is the InChIKey of 2-(chloromethyl)-1-methyl-1-propan-2-ylcyclopropane?
The InChIKey is ZMVLULMWZWXMMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15Cl/c1-6(2)8(3)4-7(8)5-9/h6-7H,4-5H2,1-3H3.
What are the key properties of 2-(chloromethyl)-1-methyl-1-propan-2-ylcyclopropane?
2-(chloromethyl)-1-methyl-1-propan-2-ylcyclopropane has a molecular weight of 146.66 g/mol, XLogP of 2.91, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-1-methyl-1-propan-2-ylcyclopropane is sourced from PubChem (CID 81358210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).