1-(2-chloroethyl)-3,5-dimethylcyclohexane

C10H19Cl — CID 64728937

IUPAC1-(2-chloroethyl)-3,5-dimethylcyclohexane
SMILESCC1CC(C)CC(CCCl)C1
InChIInChI=1S/C10H19Cl/c1-8-5-9(2)7-10(6-8)3-4-11/h8-10H,3-7H2,1-2H3
InChIKeyOLLYUSFVDOKLGL-UHFFFAOYSA-N
MW174.71 g/mol
LogP3.69
Rot. Bonds2

About 1-(2-chloroethyl)-3,5-dimethylcyclohexane

1-(2-chloroethyl)-3,5-dimethylcyclohexane (PubChem CID 64728937) has the molecular formula C10H19Cl and a molecular weight of 174.71 g/mol. Its IUPAC name is 1-(2-chloroethyl)-3,5-dimethylcyclohexane.

Molecular Properties

Compound Name1-(2-chloroethyl)-3,5-dimethylcyclohexane
PubChem CID64728937
Molecular FormulaC10H19Cl
Molecular Weight174.71 g/mol
Exact Mass174.12
IUPAC Name1-(2-chloroethyl)-3,5-dimethylcyclohexane
SMILESCC1CC(C)CC(CCCl)C1
InChIInChI=1S/C10H19Cl/c1-8-5-9(2)7-10(6-8)3-4-11/h8-10H,3-7H2,1-2H3
InChIKeyOLLYUSFVDOKLGL-UHFFFAOYSA-N
XLogP3.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.71
LogP ≤ 53.69
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-(2-chloroethyl)-3,5-dimethylcyclohexane?
The IUPAC name of 1-(2-chloroethyl)-3,5-dimethylcyclohexane (CID 64728937) is 1-(2-chloroethyl)-3,5-dimethylcyclohexane.
What is the SMILES notation for 1-(2-chloroethyl)-3,5-dimethylcyclohexane?
The canonical SMILES for 1-(2-chloroethyl)-3,5-dimethylcyclohexane is CC1CC(C)CC(CCCl)C1.
What is the InChIKey of 1-(2-chloroethyl)-3,5-dimethylcyclohexane?
The InChIKey is OLLYUSFVDOKLGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19Cl/c1-8-5-9(2)7-10(6-8)3-4-11/h8-10H,3-7H2,1-2H3.
What are the key properties of 1-(2-chloroethyl)-3,5-dimethylcyclohexane?
1-(2-chloroethyl)-3,5-dimethylcyclohexane has a molecular weight of 174.71 g/mol, XLogP of 3.69, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloroethyl)-3,5-dimethylcyclohexane is sourced from PubChem (CID 64728937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).