1-(3-chloropropyl)-4-methylcyclohexane

C10H19Cl — CID 64775932

IUPAC1-(3-chloropropyl)-4-methylcyclohexane
SMILESCC1CCC(CCCCl)CC1
InChIInChI=1S/C10H19Cl/c1-9-4-6-10(7-5-9)3-2-8-11/h9-10H,2-8H2,1H3
InChIKeyQCSAUKDJCGSATJ-UHFFFAOYSA-N
MW174.71 g/mol
LogP3.83
Rot. Bonds3

About 1-(3-chloropropyl)-4-methylcyclohexane

1-(3-chloropropyl)-4-methylcyclohexane (PubChem CID 64775932) has the molecular formula C10H19Cl and a molecular weight of 174.71 g/mol. Its IUPAC name is 1-(3-chloropropyl)-4-methylcyclohexane.

Molecular Properties

Compound Name1-(3-chloropropyl)-4-methylcyclohexane
PubChem CID64775932
Molecular FormulaC10H19Cl
Molecular Weight174.71 g/mol
Exact Mass174.12
IUPAC Name1-(3-chloropropyl)-4-methylcyclohexane
SMILESCC1CCC(CCCCl)CC1
InChIInChI=1S/C10H19Cl/c1-9-4-6-10(7-5-9)3-2-8-11/h9-10H,2-8H2,1H3
InChIKeyQCSAUKDJCGSATJ-UHFFFAOYSA-N
XLogP3.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.71
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

3-(4-methylcyclohexyl)propane-1-thiol
CID 139295204
1-(3-fluoropropyl)-4-methylcyclohexane
CID 166888842
1-butyl-4-methylcyclooctane
CID 123623113
1-(4-chlorobutyl)-4-(4-cyclohexylbutyl)cyclohexane
CID 57205272
1-methyl-4-pentylcycloheptane
CID 123318058
4-(3-chloropropyl)-1-methylpiperidine;hydrochloride
CID 154791310
1-methyl-4-[4-(4-nonylcyclohexyl)cyclohexyl]cyclohexane
CID 54248901
1-hexyl-4-(4-methylcyclohexyl)cyclohexane
CID 19850428
N-methyl-5-(4-methylcyclohexyl)pentan-1-amine
CID 91473840
hexane;pentylcyclopropane
CID 159592467
dimethoxy-[3-(4-methylcyclohexyl)propyl]silane
CID 154017104
CID 20632302
CID 20632302

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloropropyl)-4-methylcyclohexane?
The IUPAC name of 1-(3-chloropropyl)-4-methylcyclohexane (CID 64775932) is 1-(3-chloropropyl)-4-methylcyclohexane.
What is the SMILES notation for 1-(3-chloropropyl)-4-methylcyclohexane?
The canonical SMILES for 1-(3-chloropropyl)-4-methylcyclohexane is CC1CCC(CCCCl)CC1.
What is the InChIKey of 1-(3-chloropropyl)-4-methylcyclohexane?
The InChIKey is QCSAUKDJCGSATJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19Cl/c1-9-4-6-10(7-5-9)3-2-8-11/h9-10H,2-8H2,1H3.
What are the key properties of 1-(3-chloropropyl)-4-methylcyclohexane?
1-(3-chloropropyl)-4-methylcyclohexane has a molecular weight of 174.71 g/mol, XLogP of 3.83, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloropropyl)-4-methylcyclohexane is sourced from PubChem (CID 64775932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).