1-chloro-1-methyl-2-(trichloromethyl)cyclohexane

C8H12Cl4 — CID 10586741

IUPAC1-chloro-1-methyl-2-(trichloromethyl)cyclohexane
SMILESCC1(Cl)CCCCC1C(Cl)(Cl)Cl
InChIInChI=1S/C8H12Cl4/c1-7(9)5-3-2-4-6(7)8(10,11)12/h6H,2-5H2,1H3
InChIKeyHBXHACRHPXFQRX-UHFFFAOYSA-N
MW250.00 g/mol
LogP4.54
Rot. Bonds

About 1-chloro-1-methyl-2-(trichloromethyl)cyclohexane

1-chloro-1-methyl-2-(trichloromethyl)cyclohexane (PubChem CID 10586741) has the molecular formula C8H12Cl4 and a molecular weight of 250.00 g/mol. Its IUPAC name is 1-chloro-1-methyl-2-(trichloromethyl)cyclohexane.

Molecular Properties

Compound Name1-chloro-1-methyl-2-(trichloromethyl)cyclohexane
PubChem CID10586741
Molecular FormulaC8H12Cl4
Molecular Weight250.00 g/mol
Exact Mass247.97
IUPAC Name1-chloro-1-methyl-2-(trichloromethyl)cyclohexane
SMILESCC1(Cl)CCCCC1C(Cl)(Cl)Cl
InChIInChI=1S/C8H12Cl4/c1-7(9)5-3-2-4-6(7)8(10,11)12/h6H,2-5H2,1H3
InChIKeyHBXHACRHPXFQRX-UHFFFAOYSA-N
XLogP4.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.00
LogP ≤ 54.54
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

2-[(1R,2S)-2-chloro-2-methylcyclohexyl]ethanol
CID 11240783
trans-(1R,2R)-2-tert-butyl-1-methylcyclohexan-1-ol
CID 23305114
1-chloro-6-iodo-1-methylcycloundecane
CID 170100175
2-tert-butyl-1-cycloheptylcyclohexan-1-amine
CID 82931284
4-tert-butylspiro[4.4]nonane
CID 140778111
1-chloro-1,5,5-trimethylcyclotridecane
CID 71162180
1-chloro-1-methylcyclotridecane
CID 71082065
cis-(1S,2S)-2-chloro-1-methylcyclohexan-1-ol
CID 93341086
1-butyl-2-tert-butylcyclohexan-1-amine
CID 63408346
(1-methylcyclopentyl)cyclohexane
CID 13217819
(3aS,7aS)-7a-methyl-1,2,3,3a,4,5,6,7-octahydroindene
CID 71361825
1-(chloromethyl)-2,2-dimethyl-8-propan-2-ylspiro[2.5]octane
CID 130489062

Frequently Asked Questions

What is the IUPAC name of 1-chloro-1-methyl-2-(trichloromethyl)cyclohexane?
The IUPAC name of 1-chloro-1-methyl-2-(trichloromethyl)cyclohexane (CID 10586741) is 1-chloro-1-methyl-2-(trichloromethyl)cyclohexane.
What is the SMILES notation for 1-chloro-1-methyl-2-(trichloromethyl)cyclohexane?
The canonical SMILES for 1-chloro-1-methyl-2-(trichloromethyl)cyclohexane is CC1(Cl)CCCCC1C(Cl)(Cl)Cl.
What is the InChIKey of 1-chloro-1-methyl-2-(trichloromethyl)cyclohexane?
The InChIKey is HBXHACRHPXFQRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12Cl4/c1-7(9)5-3-2-4-6(7)8(10,11)12/h6H,2-5H2,1H3.
What are the key properties of 1-chloro-1-methyl-2-(trichloromethyl)cyclohexane?
1-chloro-1-methyl-2-(trichloromethyl)cyclohexane has a molecular weight of 250.00 g/mol, XLogP of 4.54, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-1-methyl-2-(trichloromethyl)cyclohexane is sourced from PubChem (CID 10586741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).