1-chloro-3,5-dimethylcyclohexane

C8H15Cl — CID 44557992

IUPAC1-chloro-3,5-dimethylcyclohexane
SMILESCC1CC(C)CC(Cl)C1
InChIInChI=1S/C8H15Cl/c1-6-3-7(2)5-8(9)4-6/h6-8H,3-5H2,1-2H3
InChIKeyHNLAOIMQNCXMJJ-UHFFFAOYSA-N
MW146.66 g/mol
LogP3.05
Rot. Bonds

About 1-chloro-3,5-dimethylcyclohexane

1-chloro-3,5-dimethylcyclohexane (PubChem CID 44557992) has the molecular formula C8H15Cl and a molecular weight of 146.66 g/mol. Its IUPAC name is 1-chloro-3,5-dimethylcyclohexane.

Molecular Properties

Compound Name1-chloro-3,5-dimethylcyclohexane
PubChem CID44557992
Molecular FormulaC8H15Cl
Molecular Weight146.66 g/mol
Exact Mass146.09
IUPAC Name1-chloro-3,5-dimethylcyclohexane
SMILESCC1CC(C)CC(Cl)C1
InChIInChI=1S/C8H15Cl/c1-6-3-7(2)5-8(9)4-6/h6-8H,3-5H2,1-2H3
InChIKeyHNLAOIMQNCXMJJ-UHFFFAOYSA-N
XLogP3.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
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-chloro-3,5-dimethylcyclohexane?
The IUPAC name of 1-chloro-3,5-dimethylcyclohexane (CID 44557992) is 1-chloro-3,5-dimethylcyclohexane.
What is the SMILES notation for 1-chloro-3,5-dimethylcyclohexane?
The canonical SMILES for 1-chloro-3,5-dimethylcyclohexane is CC1CC(C)CC(Cl)C1.
What is the InChIKey of 1-chloro-3,5-dimethylcyclohexane?
The InChIKey is HNLAOIMQNCXMJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15Cl/c1-6-3-7(2)5-8(9)4-6/h6-8H,3-5H2,1-2H3.
What are the key properties of 1-chloro-3,5-dimethylcyclohexane?
1-chloro-3,5-dimethylcyclohexane has a molecular weight of 146.66 g/mol, XLogP of 3.05, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3,5-dimethylcyclohexane is sourced from PubChem (CID 44557992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).