3-(2-tert-butyl-3,3-dimethylbutyl)-1,1,2,2,4,4,5,5-octamethylcyclohexane

C24H48 — CID 162285091

IUPAC3-(2-tert-butyl-3,3-dimethylbutyl)-1,1,2,2,4,4,5,5-octamethylcyclohexane
SMILESCC(C)(C)C(CC1C(C)(C)C(C)(C)CC(C)(C)C1(C)C)C(C)(C)C
InChIInChI=1S/C24H48/c1-19(2,3)17(20(4,5)6)15-18-23(11,12)21(7,8)16-22(9,10)24(18,13)14/h17-18H,15-16H2,1-14H3
InChIKeyILSFMXZHHMQVEY-UHFFFAOYSA-N
MW336.65 g/mol
LogP8.21
Rot. Bonds2

About 3-(2-tert-butyl-3,3-dimethylbutyl)-1,1,2,2,4,4,5,5-octamethylcyclohexane

3-(2-tert-butyl-3,3-dimethylbutyl)-1,1,2,2,4,4,5,5-octamethylcyclohexane (PubChem CID 162285091) has the molecular formula C24H48 and a molecular weight of 336.65 g/mol. Its IUPAC name is 3-(2-tert-butyl-3,3-dimethylbutyl)-1,1,2,2,4,4,5,5-octamethylcyclohexane.

Molecular Properties

Compound Name3-(2-tert-butyl-3,3-dimethylbutyl)-1,1,2,2,4,4,5,5-octamethylcyclohexane
PubChem CID162285091
Molecular FormulaC24H48
Molecular Weight336.65 g/mol
Exact Mass336.38
IUPAC Name3-(2-tert-butyl-3,3-dimethylbutyl)-1,1,2,2,4,4,5,5-octamethylcyclohexane
SMILESCC(C)(C)C(CC1C(C)(C)C(C)(C)CC(C)(C)C1(C)C)C(C)(C)C
InChIInChI=1S/C24H48/c1-19(2,3)17(20(4,5)6)15-18-23(11,12)21(7,8)16-22(9,10)24(18,13)14/h17-18H,15-16H2,1-14H3
InChIKeyILSFMXZHHMQVEY-UHFFFAOYSA-N
XLogP8.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.65
LogP ≤ 58.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 12600021
1,5-ditert-butyl-2,2,4,4-tetramethyl-6,7-dithiabicyclo[3.1.1]heptane
CID 15307557
4-tert-butyl-1,2,2-trimethylbicyclo[2.2.0]hexane
CID 162524647
1,1,3,3-tetramethyl-2-(4-methyl-2-propan-2-ylpentyl)cyclopentane
CID 123947134
1-(1-tert-butyl-2,2-dimethylcyclopropyl)-N-methylmethanamine
CID 83695371
3-(3,3-dimethylbutan-2-yl)-1-fluoro-1-methylcyclobutane
CID 170179238
2-tert-butyl-2-ethyl-4,4-dimethyloxetane
CID 146352936
1-tert-butyl-2,2-dimethyl-3-propan-2-ylbicyclo[1.1.0]butane
CID 91436034
1-(2,2-dimethylpentan-3-yl)-2,2-dimethyl-1-prop-1-en-2-ylcyclopropane
CID 123928850
1,1,2-trimethyl-2-(3-methylpentan-3-yl)cyclopropane
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1-(2-tert-butyl-3,3-dimethylbutyl)-4-methylpiperazine
CID 176871085

Frequently Asked Questions

What is the IUPAC name of 3-(2-tert-butyl-3,3-dimethylbutyl)-1,1,2,2,4,4,5,5-octamethylcyclohexane?
The IUPAC name of 3-(2-tert-butyl-3,3-dimethylbutyl)-1,1,2,2,4,4,5,5-octamethylcyclohexane (CID 162285091) is 3-(2-tert-butyl-3,3-dimethylbutyl)-1,1,2,2,4,4,5,5-octamethylcyclohexane.
What is the SMILES notation for 3-(2-tert-butyl-3,3-dimethylbutyl)-1,1,2,2,4,4,5,5-octamethylcyclohexane?
The canonical SMILES for 3-(2-tert-butyl-3,3-dimethylbutyl)-1,1,2,2,4,4,5,5-octamethylcyclohexane is CC(C)(C)C(CC1C(C)(C)C(C)(C)CC(C)(C)C1(C)C)C(C)(C)C.
What is the InChIKey of 3-(2-tert-butyl-3,3-dimethylbutyl)-1,1,2,2,4,4,5,5-octamethylcyclohexane?
The InChIKey is ILSFMXZHHMQVEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H48/c1-19(2,3)17(20(4,5)6)15-18-23(11,12)21(7,8)16-22(9,10)24(18,13)14/h17-18H,15-16H2,1-14H3.
What are the key properties of 3-(2-tert-butyl-3,3-dimethylbutyl)-1,1,2,2,4,4,5,5-octamethylcyclohexane?
3-(2-tert-butyl-3,3-dimethylbutyl)-1,1,2,2,4,4,5,5-octamethylcyclohexane has a molecular weight of 336.65 g/mol, XLogP of 8.21, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-tert-butyl-3,3-dimethylbutyl)-1,1,2,2,4,4,5,5-octamethylcyclohexane is sourced from PubChem (CID 162285091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).