1-(chloromethyl)-5-ethenyl-5-methylcyclohexene

C10H15Cl — CID 14587288

IUPAC1-(chloromethyl)-5-ethenyl-5-methylcyclohexene
SMILESC=CC1(C)CCC=C(CCl)C1
InChIInChI=1S/C10H15Cl/c1-3-10(2)6-4-5-9(7-10)8-11/h3,5H,1,4,6-8H2,2H3
InChIKeyRGGKXAVZLMVYLP-UHFFFAOYSA-N
MW170.68 g/mol
LogP3.53
Rot. Bonds2

About 1-(chloromethyl)-5-ethenyl-5-methylcyclohexene

1-(chloromethyl)-5-ethenyl-5-methylcyclohexene (PubChem CID 14587288) has the molecular formula C10H15Cl and a molecular weight of 170.68 g/mol. Its IUPAC name is 1-(chloromethyl)-5-ethenyl-5-methylcyclohexene.

Molecular Properties

Compound Name1-(chloromethyl)-5-ethenyl-5-methylcyclohexene
PubChem CID14587288
Molecular FormulaC10H15Cl
Molecular Weight170.68 g/mol
Exact Mass170.09
IUPAC Name1-(chloromethyl)-5-ethenyl-5-methylcyclohexene
SMILESC=CC1(C)CCC=C(CCl)C1
InChIInChI=1S/C10H15Cl/c1-3-10(2)6-4-5-9(7-10)8-11/h3,5H,1,4,6-8H2,2H3
InChIKeyRGGKXAVZLMVYLP-UHFFFAOYSA-N
XLogP3.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.68
LogP ≤ 53.53
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 1-(chloromethyl)-5-ethenyl-5-methylcyclohexene?
The IUPAC name of 1-(chloromethyl)-5-ethenyl-5-methylcyclohexene (CID 14587288) is 1-(chloromethyl)-5-ethenyl-5-methylcyclohexene.
What is the SMILES notation for 1-(chloromethyl)-5-ethenyl-5-methylcyclohexene?
The canonical SMILES for 1-(chloromethyl)-5-ethenyl-5-methylcyclohexene is C=CC1(C)CCC=C(CCl)C1.
What is the InChIKey of 1-(chloromethyl)-5-ethenyl-5-methylcyclohexene?
The InChIKey is RGGKXAVZLMVYLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15Cl/c1-3-10(2)6-4-5-9(7-10)8-11/h3,5H,1,4,6-8H2,2H3.
What are the key properties of 1-(chloromethyl)-5-ethenyl-5-methylcyclohexene?
1-(chloromethyl)-5-ethenyl-5-methylcyclohexene has a molecular weight of 170.68 g/mol, XLogP of 3.53, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(chloromethyl)-5-ethenyl-5-methylcyclohexene is sourced from PubChem (CID 14587288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).