2-(2,2-dimethylbutyl)-1,1,2,4,4-pentamethylcyclohexane

C17H34 — CID 123623418

IUPAC2-(2,2-dimethylbutyl)-1,1,2,4,4-pentamethylcyclohexane
SMILESCCC(C)(C)CC1(C)CC(C)(C)CCC1(C)C
InChIInChI=1S/C17H34/c1-9-14(2,3)12-17(8)13-15(4,5)10-11-16(17,6)7/h9-13H2,1-8H3
InChIKeyFLTJAKXKFBAMBX-UHFFFAOYSA-N
MW238.46 g/mol
LogP6.06
Rot. Bonds3

About 2-(2,2-dimethylbutyl)-1,1,2,4,4-pentamethylcyclohexane

2-(2,2-dimethylbutyl)-1,1,2,4,4-pentamethylcyclohexane (PubChem CID 123623418) has the molecular formula C17H34 and a molecular weight of 238.46 g/mol. Its IUPAC name is 2-(2,2-dimethylbutyl)-1,1,2,4,4-pentamethylcyclohexane.

Molecular Properties

Compound Name2-(2,2-dimethylbutyl)-1,1,2,4,4-pentamethylcyclohexane
PubChem CID123623418
Molecular FormulaC17H34
Molecular Weight238.46 g/mol
Exact Mass238.27
IUPAC Name2-(2,2-dimethylbutyl)-1,1,2,4,4-pentamethylcyclohexane
SMILESCCC(C)(C)CC1(C)CC(C)(C)CCC1(C)C
InChIInChI=1S/C17H34/c1-9-14(2,3)12-17(8)13-15(4,5)10-11-16(17,6)7/h9-13H2,1-8H3
InChIKeyFLTJAKXKFBAMBX-UHFFFAOYSA-N
XLogP6.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500238.46
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-(1-hydroxy-3,3-dimethylcyclopentyl)-2-methylbutanenitrile
CID 80700069
2-(1-hydroxy-4,4-dimethylcyclohexyl)-2-methylbutanenitrile
CID 79132285
1-(2,2-dimethylpropyl)-3,3-dimethyl-1-(2-methylbutan-2-yl)cycloheptane
CID 123853470
5-(2,2-dimethylbutyl)-1,4-dimethylbicyclo[2.1.0]pentane
CID 123695523
1,1,2-trimethyl-2-(3-methylpentan-3-yl)cyclopropane
CID 142046748
2,3-bis(2,2-dimethylbutyl)-2-methyloxirane
CID 90226520
1,1,3-trimethyl-3-(2-methylhexan-2-yl)cyclopentane
CID 123829002
1,1,3-trimethyl-3-propylcyclopentane
CID 123680922
tetrakis(3,3-dimethylpentane);methane
CID 159658641
3,3-dimethylpentane;methane
CID 158185076
3,3-dimethylpentane;propane
CID 90942978
3,3-dimethylpentane;2,2-dimethylpropane
CID 173299738

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylbutyl)-1,1,2,4,4-pentamethylcyclohexane?
The IUPAC name of 2-(2,2-dimethylbutyl)-1,1,2,4,4-pentamethylcyclohexane (CID 123623418) is 2-(2,2-dimethylbutyl)-1,1,2,4,4-pentamethylcyclohexane.
What is the SMILES notation for 2-(2,2-dimethylbutyl)-1,1,2,4,4-pentamethylcyclohexane?
The canonical SMILES for 2-(2,2-dimethylbutyl)-1,1,2,4,4-pentamethylcyclohexane is CCC(C)(C)CC1(C)CC(C)(C)CCC1(C)C.
What is the InChIKey of 2-(2,2-dimethylbutyl)-1,1,2,4,4-pentamethylcyclohexane?
The InChIKey is FLTJAKXKFBAMBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34/c1-9-14(2,3)12-17(8)13-15(4,5)10-11-16(17,6)7/h9-13H2,1-8H3.
What are the key properties of 2-(2,2-dimethylbutyl)-1,1,2,4,4-pentamethylcyclohexane?
2-(2,2-dimethylbutyl)-1,1,2,4,4-pentamethylcyclohexane has a molecular weight of 238.46 g/mol, XLogP of 6.06, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylbutyl)-1,1,2,4,4-pentamethylcyclohexane is sourced from PubChem (CID 123623418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).