1,1-bis(2,4,4-trimethylhexyl)cyclohexane

C24H48 — CID 157082475

IUPAC1,1-bis(2,4,4-trimethylhexyl)cyclohexane
SMILESCCC(C)(C)CC(C)CC1(CC(C)CC(C)(C)CC)CCCCC1
InChIInChI=1S/C24H48/c1-9-22(5,6)16-20(3)18-24(14-12-11-13-15-24)19-21(4)17-23(7,8)10-2/h20-21H,9-19H2,1-8H3
InChIKeyADSBVCAOZISSNX-UHFFFAOYSA-N
MW336.65 g/mol
LogP8.64
Rot. Bonds10

About 1,1-bis(2,4,4-trimethylhexyl)cyclohexane

1,1-bis(2,4,4-trimethylhexyl)cyclohexane (PubChem CID 157082475) has the molecular formula C24H48 and a molecular weight of 336.65 g/mol. Its IUPAC name is 1,1-bis(2,4,4-trimethylhexyl)cyclohexane.

Molecular Properties

Compound Name1,1-bis(2,4,4-trimethylhexyl)cyclohexane
PubChem CID157082475
Molecular FormulaC24H48
Molecular Weight336.65 g/mol
Exact Mass336.38
IUPAC Name1,1-bis(2,4,4-trimethylhexyl)cyclohexane
SMILESCCC(C)(C)CC(C)CC1(CC(C)CC(C)(C)CC)CCCCC1
InChIInChI=1S/C24H48/c1-9-22(5,6)16-20(3)18-24(14-12-11-13-15-24)19-21(4)17-23(7,8)10-2/h20-21H,9-19H2,1-8H3
InChIKeyADSBVCAOZISSNX-UHFFFAOYSA-N
XLogP8.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.65
LogP ≤ 58.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3,3,5,7-tetramethylnonane
CID 57490983
3,3,5-trimethylnonane
CID 53424862
3,3,5,7-tetramethyldecane
CID 57491663
2,2,5,8,10,10-hexamethyldodecane
CID 177102228
(1-methylcyclohexyl) 2-tert-butyl-4,4-dimethylhexanoate
CID 123892325
1-methyl-1-(2-methylbutyl)cyclopentane
CID 123846035
N-methyl-1-[1-(2-methylpentyl)cyclopentyl]methanamine
CID 62724996
1,1-diethylcyclohexane;ethane
CID 142116480
N-[[1-(2-tert-butylsulfonylethyl)cyclohexyl]methyl]propan-2-amine
CID 106729852
N-[[1-(2-methylbutyl)cyclobutyl]methyl]propan-2-amine
CID 65194330
[1-(2-ethylbutyl)cyclohexyl]methanol
CID 82934579
1-(bromomethyl)-1-(2-ethylbutyl)cyclohexane
CID 82935181

Frequently Asked Questions

What is the IUPAC name of 1,1-bis(2,4,4-trimethylhexyl)cyclohexane?
The IUPAC name of 1,1-bis(2,4,4-trimethylhexyl)cyclohexane (CID 157082475) is 1,1-bis(2,4,4-trimethylhexyl)cyclohexane.
What is the SMILES notation for 1,1-bis(2,4,4-trimethylhexyl)cyclohexane?
The canonical SMILES for 1,1-bis(2,4,4-trimethylhexyl)cyclohexane is CCC(C)(C)CC(C)CC1(CC(C)CC(C)(C)CC)CCCCC1.
What is the InChIKey of 1,1-bis(2,4,4-trimethylhexyl)cyclohexane?
The InChIKey is ADSBVCAOZISSNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H48/c1-9-22(5,6)16-20(3)18-24(14-12-11-13-15-24)19-21(4)17-23(7,8)10-2/h20-21H,9-19H2,1-8H3.
What are the key properties of 1,1-bis(2,4,4-trimethylhexyl)cyclohexane?
1,1-bis(2,4,4-trimethylhexyl)cyclohexane has a molecular weight of 336.65 g/mol, XLogP of 8.64, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis(2,4,4-trimethylhexyl)cyclohexane is sourced from PubChem (CID 157082475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).