4-[1-(2,6-dimethylcyclohexyl)ethyl]-1-(5,7-dimethylnonan-2-yl)-2,3,5-trimethylcyclohexane

C30H58 — CID 91402683

IUPAC4-[1-(2,6-dimethylcyclohexyl)ethyl]-1-(5,7-dimethylnonan-2-yl)-2,3,5-trimethylcyclohexane
SMILESCCC(C)CC(C)CCC(C)C1CC(C)C(C(C)C2C(C)CCCC2C)C(C)C1C
InChIInChI=1S/C30H58/c1-11-19(2)17-20(3)15-16-21(4)28-18-24(7)30(26(9)25(28)8)27(10)29-22(5)13-12-14-23(29)6/h19-30H,11-18H2,1-10H3
InChIKeyADWZNXWGFPJSIN-UHFFFAOYSA-N
MW418.79 g/mol
LogP9.73
Rot. Bonds9

About 4-[1-(2,6-dimethylcyclohexyl)ethyl]-1-(5,7-dimethylnonan-2-yl)-2,3,5-trimethylcyclohexane

4-[1-(2,6-dimethylcyclohexyl)ethyl]-1-(5,7-dimethylnonan-2-yl)-2,3,5-trimethylcyclohexane (PubChem CID 91402683) has the molecular formula C30H58 and a molecular weight of 418.79 g/mol. Its IUPAC name is 4-[1-(2,6-dimethylcyclohexyl)ethyl]-1-(5,7-dimethylnonan-2-yl)-2,3,5-trimethylcyclohexane.

Molecular Properties

Compound Name4-[1-(2,6-dimethylcyclohexyl)ethyl]-1-(5,7-dimethylnonan-2-yl)-2,3,5-trimethylcyclohexane
PubChem CID91402683
Molecular FormulaC30H58
Molecular Weight418.79 g/mol
Exact Mass418.45
IUPAC Name4-[1-(2,6-dimethylcyclohexyl)ethyl]-1-(5,7-dimethylnonan-2-yl)-2,3,5-trimethylcyclohexane
SMILESCCC(C)CC(C)CCC(C)C1CC(C)C(C(C)C2C(C)CCCC2C)C(C)C1C
InChIInChI=1S/C30H58/c1-11-19(2)17-20(3)15-16-21(4)28-18-24(7)30(26(9)25(28)8)27(10)29-22(5)13-12-14-23(29)6/h19-30H,11-18H2,1-10H3
InChIKeyADWZNXWGFPJSIN-UHFFFAOYSA-N
XLogP9.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.79
LogP ≤ 59.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 4-[1-(2,6-dimethylcyclohexyl)ethyl]-1-(5,7-dimethylnonan-2-yl)-2,3,5-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

1,2-dimethyl-3-(4-methylhexan-2-yl)cyclobutane
CID 123367002
1-methyl-2-(4-methylhexan-2-yl)cyclopentane
CID 123800434
1,2,3-trimethyl-4-(5-methylheptan-2-yl)cyclohexane
CID 123804533
2-butan-2-yl-1,3-dimethylcyclohexane
CID 123219049
3,5,7,10,12-pentamethyltetradecane
CID 59582352
1-methyl-2-(5-methyloctan-3-yl)cyclopropane
CID 123251321
3-methyl-1-(2-methylcyclopropyl)pentan-1-amine
CID 65419955
cis-(1R,2R)-1-methyl-2-pentan-2-ylcyclopentane
CID 54158802
1-(2,5-dimethylheptan-3-yl)-2,3-dimethylcyclobutane
CID 123429129
1,2-dimethyl-3-pentan-2-ylcyclobutane
CID 123945019
1-(4,6-dimethyloctan-2-yl)-3-methylcyclobutane
CID 123289124
1-(4,7-dimethylnonan-2-yl)-3-methylcyclobutane
CID 123489822

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2,6-dimethylcyclohexyl)ethyl]-1-(5,7-dimethylnonan-2-yl)-2,3,5-trimethylcyclohexane?
The IUPAC name of 4-[1-(2,6-dimethylcyclohexyl)ethyl]-1-(5,7-dimethylnonan-2-yl)-2,3,5-trimethylcyclohexane (CID 91402683) is 4-[1-(2,6-dimethylcyclohexyl)ethyl]-1-(5,7-dimethylnonan-2-yl)-2,3,5-trimethylcyclohexane.
What is the SMILES notation for 4-[1-(2,6-dimethylcyclohexyl)ethyl]-1-(5,7-dimethylnonan-2-yl)-2,3,5-trimethylcyclohexane?
The canonical SMILES for 4-[1-(2,6-dimethylcyclohexyl)ethyl]-1-(5,7-dimethylnonan-2-yl)-2,3,5-trimethylcyclohexane is CCC(C)CC(C)CCC(C)C1CC(C)C(C(C)C2C(C)CCCC2C)C(C)C1C.
What is the InChIKey of 4-[1-(2,6-dimethylcyclohexyl)ethyl]-1-(5,7-dimethylnonan-2-yl)-2,3,5-trimethylcyclohexane?
The InChIKey is ADWZNXWGFPJSIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H58/c1-11-19(2)17-20(3)15-16-21(4)28-18-24(7)30(26(9)25(28)8)27(10)29-22(5)13-12-14-23(29)6/h19-30H,11-18H2,1-10H3.
What are the key properties of 4-[1-(2,6-dimethylcyclohexyl)ethyl]-1-(5,7-dimethylnonan-2-yl)-2,3,5-trimethylcyclohexane?
4-[1-(2,6-dimethylcyclohexyl)ethyl]-1-(5,7-dimethylnonan-2-yl)-2,3,5-trimethylcyclohexane has a molecular weight of 418.79 g/mol, XLogP of 9.73, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2,6-dimethylcyclohexyl)ethyl]-1-(5,7-dimethylnonan-2-yl)-2,3,5-trimethylcyclohexane is sourced from PubChem (CID 91402683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).