5-ethyl-1-(3-ethyl-2,4-dimethylpentyl)-1,2,4-trimethylcyclohexane

C20H40 — CID 90780885

IUPAC5-ethyl-1-(3-ethyl-2,4-dimethylpentyl)-1,2,4-trimethylcyclohexane
SMILESCCC1CC(C)(CC(C)C(CC)C(C)C)C(C)CC1C
InChIInChI=1S/C20H40/c1-9-18-13-20(8,17(7)11-15(18)5)12-16(6)19(10-2)14(3)4/h14-19H,9-13H2,1-8H3
InChIKeyAOZATHGNBPUJBE-UHFFFAOYSA-N
MW280.54 g/mol
LogP6.79
Rot. Bonds6

About 5-ethyl-1-(3-ethyl-2,4-dimethylpentyl)-1,2,4-trimethylcyclohexane

5-ethyl-1-(3-ethyl-2,4-dimethylpentyl)-1,2,4-trimethylcyclohexane (PubChem CID 90780885) has the molecular formula C20H40 and a molecular weight of 280.54 g/mol. Its IUPAC name is 5-ethyl-1-(3-ethyl-2,4-dimethylpentyl)-1,2,4-trimethylcyclohexane.

Molecular Properties

Compound Name5-ethyl-1-(3-ethyl-2,4-dimethylpentyl)-1,2,4-trimethylcyclohexane
PubChem CID90780885
Molecular FormulaC20H40
Molecular Weight280.54 g/mol
Exact Mass280.31
IUPAC Name5-ethyl-1-(3-ethyl-2,4-dimethylpentyl)-1,2,4-trimethylcyclohexane
SMILESCCC1CC(C)(CC(C)C(CC)C(C)C)C(C)CC1C
InChIInChI=1S/C20H40/c1-9-18-13-20(8,17(7)11-15(18)5)12-16(6)19(10-2)14(3)4/h14-19H,9-13H2,1-8H3
InChIKeyAOZATHGNBPUJBE-UHFFFAOYSA-N
XLogP6.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.54
LogP ≤ 56.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 5-ethyl-1-(3-ethyl-2,4-dimethylpentyl)-1,2,4-trimethylcyclohexane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3,4-diethyl-2,5-dimethylhexyl)-2-methylcyclopropane
CID 123891563
1-ethyl-2-methylcyclopropane;2-methylpropane
CID 155747981
ethane;1-ethyl-2-methylcyclopropane;propane
CID 142903717
1-(2,3-dimethylbutyl)-2-ethyl-1-methylcyclopropane
CID 123895340
1,2,3-trimethyl-1-(2-methylbutyl)cyclobutane
CID 123778279
(4S)-3-ethyl-2,4-dimethylhexane
CID 59911226
1,2,3-trimethyl-1-(2-methylpropyl)cyclobutane
CID 91220382
1,2-dimethylcyclopropane;2-methylpropane;propane
CID 142614988
2-butan-2-yl-3-ethyl-5-methylcyclopentan-1-amine
CID 155282268
1-ethyl-3-methyl-2-(3-methylbutan-2-yl)cyclobutane
CID 91121351
1-methyl-2-(2-methylbutyl)cyclopropane
CID 91076617
1-(6-ethyl-2,5,7-trimethyldecyl)-2-methylcyclopropane
CID 123235703

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-(3-ethyl-2,4-dimethylpentyl)-1,2,4-trimethylcyclohexane?
The IUPAC name of 5-ethyl-1-(3-ethyl-2,4-dimethylpentyl)-1,2,4-trimethylcyclohexane (CID 90780885) is 5-ethyl-1-(3-ethyl-2,4-dimethylpentyl)-1,2,4-trimethylcyclohexane.
What is the SMILES notation for 5-ethyl-1-(3-ethyl-2,4-dimethylpentyl)-1,2,4-trimethylcyclohexane?
The canonical SMILES for 5-ethyl-1-(3-ethyl-2,4-dimethylpentyl)-1,2,4-trimethylcyclohexane is CCC1CC(C)(CC(C)C(CC)C(C)C)C(C)CC1C.
What is the InChIKey of 5-ethyl-1-(3-ethyl-2,4-dimethylpentyl)-1,2,4-trimethylcyclohexane?
The InChIKey is AOZATHGNBPUJBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40/c1-9-18-13-20(8,17(7)11-15(18)5)12-16(6)19(10-2)14(3)4/h14-19H,9-13H2,1-8H3.
What are the key properties of 5-ethyl-1-(3-ethyl-2,4-dimethylpentyl)-1,2,4-trimethylcyclohexane?
5-ethyl-1-(3-ethyl-2,4-dimethylpentyl)-1,2,4-trimethylcyclohexane has a molecular weight of 280.54 g/mol, XLogP of 6.79, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-(3-ethyl-2,4-dimethylpentyl)-1,2,4-trimethylcyclohexane is sourced from PubChem (CID 90780885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).