1-(chloromethyl)-4-methylcyclohexane

C8H15Cl — CID 13327355

IUPAC1-(chloromethyl)-4-methylcyclohexane
SMILESCC1CCC(CCl)CC1
InChIInChI=1S/C8H15Cl/c1-7-2-4-8(6-9)5-3-7/h7-8H,2-6H2,1H3
InChIKeyUURNLXIWBYIBFP-UHFFFAOYSA-N
MW146.66 g/mol
LogP3.05
Rot. Bonds1

About 1-(chloromethyl)-4-methylcyclohexane

1-(chloromethyl)-4-methylcyclohexane (PubChem CID 13327355) has the molecular formula C8H15Cl and a molecular weight of 146.66 g/mol. Its IUPAC name is 1-(chloromethyl)-4-methylcyclohexane.

Molecular Properties

Compound Name1-(chloromethyl)-4-methylcyclohexane
PubChem CID13327355
Molecular FormulaC8H15Cl
Molecular Weight146.66 g/mol
Exact Mass146.09
IUPAC Name1-(chloromethyl)-4-methylcyclohexane
SMILESCC1CCC(CCl)CC1
InChIInChI=1S/C8H15Cl/c1-7-2-4-8(6-9)5-3-7/h7-8H,2-6H2,1H3
InChIKeyUURNLXIWBYIBFP-UHFFFAOYSA-N
XLogP3.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.66
LogP ≤ 53.05
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)-4-methylcyclohexane?
The IUPAC name of 1-(chloromethyl)-4-methylcyclohexane (CID 13327355) is 1-(chloromethyl)-4-methylcyclohexane.
What is the SMILES notation for 1-(chloromethyl)-4-methylcyclohexane?
The canonical SMILES for 1-(chloromethyl)-4-methylcyclohexane is CC1CCC(CCl)CC1.
What is the InChIKey of 1-(chloromethyl)-4-methylcyclohexane?
The InChIKey is UURNLXIWBYIBFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15Cl/c1-7-2-4-8(6-9)5-3-7/h7-8H,2-6H2,1H3.
What are the key properties of 1-(chloromethyl)-4-methylcyclohexane?
1-(chloromethyl)-4-methylcyclohexane has a molecular weight of 146.66 g/mol, XLogP of 3.05, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(chloromethyl)-4-methylcyclohexane is sourced from PubChem (CID 13327355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).