[2-(chloromethyl)-3-methylbut-1-enyl]cyclopropane

C9H15Cl — CID 79334822

IUPAC[2-(chloromethyl)-3-methylbut-1-enyl]cyclopropane
SMILESCC(C)C(=CC1CC1)CCl
InChIInChI=1S/C9H15Cl/c1-7(2)9(6-10)5-8-3-4-8/h5,7-8H,3-4,6H2,1-2H3
InChIKeyHUEVBKZJLJDBEI-UHFFFAOYSA-N
MW158.67 g/mol
LogP3.22
Rot. Bonds3

About [2-(chloromethyl)-3-methylbut-1-enyl]cyclopropane

[2-(chloromethyl)-3-methylbut-1-enyl]cyclopropane (PubChem CID 79334822) has the molecular formula C9H15Cl and a molecular weight of 158.67 g/mol. Its IUPAC name is [2-(chloromethyl)-3-methylbut-1-enyl]cyclopropane.

Molecular Properties

Compound Name[2-(chloromethyl)-3-methylbut-1-enyl]cyclopropane
PubChem CID79334822
Molecular FormulaC9H15Cl
Molecular Weight158.67 g/mol
Exact Mass158.09
IUPAC Name[2-(chloromethyl)-3-methylbut-1-enyl]cyclopropane
SMILESCC(C)C(=CC1CC1)CCl
InChIInChI=1S/C9H15Cl/c1-7(2)9(6-10)5-8-3-4-8/h5,7-8H,3-4,6H2,1-2H3
InChIKeyHUEVBKZJLJDBEI-UHFFFAOYSA-N
XLogP3.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.67
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-(chloromethyl)-3-methylbut-1-enyl]cyclopropane?
The IUPAC name of [2-(chloromethyl)-3-methylbut-1-enyl]cyclopropane (CID 79334822) is [2-(chloromethyl)-3-methylbut-1-enyl]cyclopropane.
What is the SMILES notation for [2-(chloromethyl)-3-methylbut-1-enyl]cyclopropane?
The canonical SMILES for [2-(chloromethyl)-3-methylbut-1-enyl]cyclopropane is CC(C)C(=CC1CC1)CCl.
What is the InChIKey of [2-(chloromethyl)-3-methylbut-1-enyl]cyclopropane?
The InChIKey is HUEVBKZJLJDBEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15Cl/c1-7(2)9(6-10)5-8-3-4-8/h5,7-8H,3-4,6H2,1-2H3.
What are the key properties of [2-(chloromethyl)-3-methylbut-1-enyl]cyclopropane?
[2-(chloromethyl)-3-methylbut-1-enyl]cyclopropane has a molecular weight of 158.67 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(chloromethyl)-3-methylbut-1-enyl]cyclopropane is sourced from PubChem (CID 79334822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).