1-tert-butyl-4-(1-chloro-2,2-dimethylpropyl)cyclohexane

C15H29Cl — CID 57084421

IUPAC1-tert-butyl-4-(1-chloro-2,2-dimethylpropyl)cyclohexane
SMILESCC(C)(C)C1CCC(C(Cl)C(C)(C)C)CC1
InChIInChI=1S/C15H29Cl/c1-14(2,3)12-9-7-11(8-10-12)13(16)15(4,5)6/h11-13H,7-10H2,1-6H3
InChIKeyZTEWRWHHXRXVGU-UHFFFAOYSA-N
MW244.85 g/mol
LogP5.49
Rot. Bonds1

About 1-tert-butyl-4-(1-chloro-2,2-dimethylpropyl)cyclohexane

1-tert-butyl-4-(1-chloro-2,2-dimethylpropyl)cyclohexane (PubChem CID 57084421) has the molecular formula C15H29Cl and a molecular weight of 244.85 g/mol. Its IUPAC name is 1-tert-butyl-4-(1-chloro-2,2-dimethylpropyl)cyclohexane.

Molecular Properties

Compound Name1-tert-butyl-4-(1-chloro-2,2-dimethylpropyl)cyclohexane
PubChem CID57084421
Molecular FormulaC15H29Cl
Molecular Weight244.85 g/mol
Exact Mass244.20
IUPAC Name1-tert-butyl-4-(1-chloro-2,2-dimethylpropyl)cyclohexane
SMILESCC(C)(C)C1CCC(C(Cl)C(C)(C)C)CC1
InChIInChI=1S/C15H29Cl/c1-14(2,3)12-9-7-11(8-10-12)13(16)15(4,5)6/h11-13H,7-10H2,1-6H3
InChIKeyZTEWRWHHXRXVGU-UHFFFAOYSA-N
XLogP5.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500244.85
LogP ≤ 55.49
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

tert-butylcyclopropane;1-cyclopropylethylcyclopropane
CID 157166349
1-(4-tert-butylcyclohexyl)-N,2,2-trimethylpropan-1-amine
CID 65400554
1-(4-tert-butylcyclohexyl)ethanol;ethane
CID 144559902
methyl 2-(4-tert-butylcyclohexyl)-2-chloroacetate
CID 104575894
1-[2-(4-tert-butylcyclohexyl)-2-chloroethyl]-4-chlorobenzene
CID 63542999
2-amino-1-(4-tert-butylcyclohexyl)-3-methylbutan-1-ol
CID 113428536
1-(4-tert-butylcyclohexyl)-2,2-difluoroethanol
CID 115694405
1,4-ditert-butylcycloheptane
CID 58579546
tert-butylcyclopentane;tert-butylcyclopropane
CID 160905619
4-tert-butylcyclohexan-1-ol;methane
CID 159612628
1-[2-(4-tert-butylcyclohexyl)-2-chloroethyl]-4-methoxybenzene
CID 63520591
2-(4-tert-butylcyclohexyl)-2-hydroxyacetonitrile
CID 104575709

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-(1-chloro-2,2-dimethylpropyl)cyclohexane?
The IUPAC name of 1-tert-butyl-4-(1-chloro-2,2-dimethylpropyl)cyclohexane (CID 57084421) is 1-tert-butyl-4-(1-chloro-2,2-dimethylpropyl)cyclohexane.
What is the SMILES notation for 1-tert-butyl-4-(1-chloro-2,2-dimethylpropyl)cyclohexane?
The canonical SMILES for 1-tert-butyl-4-(1-chloro-2,2-dimethylpropyl)cyclohexane is CC(C)(C)C1CCC(C(Cl)C(C)(C)C)CC1.
What is the InChIKey of 1-tert-butyl-4-(1-chloro-2,2-dimethylpropyl)cyclohexane?
The InChIKey is ZTEWRWHHXRXVGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29Cl/c1-14(2,3)12-9-7-11(8-10-12)13(16)15(4,5)6/h11-13H,7-10H2,1-6H3.
What are the key properties of 1-tert-butyl-4-(1-chloro-2,2-dimethylpropyl)cyclohexane?
1-tert-butyl-4-(1-chloro-2,2-dimethylpropyl)cyclohexane has a molecular weight of 244.85 g/mol, XLogP of 5.49, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-(1-chloro-2,2-dimethylpropyl)cyclohexane is sourced from PubChem (CID 57084421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).