2,6-dimethyloctane;1-methyl-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylcyclohexane

C30H56 — CID 158649690

IUPAC2,6-dimethyloctane;1-methyl-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylcyclohexane
SMILESCC1CCC(C(C)C)CC1.CCC(C)CCCC(C)C.Cc1ccc(C(C)C)cc1
InChIInChI=1S/C10H20.C10H14.C10H22/c2*1-8(2)10-6-4-9(3)5-7-10;1-5-10(4)8-6-7-9(2)3/h8-10H,4-7H2,1-3H3;4-8H,1-3H3;9-10H,5-8H2,1-4H3
InChIKeyIBJXARDIMOOSMB-UHFFFAOYSA-N
MW416.78 g/mol
LogP10.45
Rot. Bonds7

About 2,6-dimethyloctane;1-methyl-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylcyclohexane

2,6-dimethyloctane;1-methyl-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylcyclohexane (PubChem CID 158649690) has the molecular formula C30H56 and a molecular weight of 416.78 g/mol. Its IUPAC name is 2,6-dimethyloctane;1-methyl-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylcyclohexane.

Molecular Properties

Compound Name2,6-dimethyloctane;1-methyl-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylcyclohexane
PubChem CID158649690
Molecular FormulaC30H56
Molecular Weight416.78 g/mol
Exact Mass416.44
IUPAC Name2,6-dimethyloctane;1-methyl-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylcyclohexane
SMILESCC1CCC(C(C)C)CC1.CCC(C)CCCC(C)C.Cc1ccc(C(C)C)cc1
InChIInChI=1S/C10H20.C10H14.C10H22/c2*1-8(2)10-6-4-9(3)5-7-10;1-5-10(4)8-6-7-9(2)3/h8-10H,4-7H2,1-3H3;4-8H,1-3H3;9-10H,5-8H2,1-4H3
InChIKeyIBJXARDIMOOSMB-UHFFFAOYSA-N
XLogP10.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.78
LogP ≤ 510.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2,6-dimethyloctane;1-methyl-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylcyclohexane 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

2,4-dimethylpentane;1,4-di(propan-2-yl)benzene;1,4-di(propan-2-yl)cyclohexane
CID 167589359
butane;3-methyloctane;1,4-xylene
CID 144940276
magnesium;2,6-dimethyloctane;dibromide
CID 175146229
N-[(4-methylcyclohexyl)-(4-methylphenyl)methyl]ethanamine
CID 55185680
N-[cyclopropyl-(4-methylphenyl)methyl]-7-methyloctan-1-amine
CID 43771308
2,6,10,14,18,22,26-heptamethyloctacosane
CID 6428605
1-methyl-4-propan-2-ylbenzene;octan-3-ol
CID 161348623
heptane;1-methyl-4-propan-2-ylcyclohexane
CID 145172646
(4-methylphenyl)-(4-propan-2-ylcyclohexyl)methanamine
CID 65424560
5-methyl-1-(4-methylcyclohexyl)hexan-1-ol
CID 83158070
2-[(2-hydroxy-5-methylphenyl)methyl]-4-methylphenol;bis(4-methylphenol);bis(1-methyl-4-propan-2-ylcyclohexane)
CID 91039057
butane;3-methylheptane;4-methylphenol
CID 155694275

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyloctane;1-methyl-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylcyclohexane?
The IUPAC name of 2,6-dimethyloctane;1-methyl-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylcyclohexane (CID 158649690) is 2,6-dimethyloctane;1-methyl-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylcyclohexane.
What is the SMILES notation for 2,6-dimethyloctane;1-methyl-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylcyclohexane?
The canonical SMILES for 2,6-dimethyloctane;1-methyl-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylcyclohexane is CC1CCC(C(C)C)CC1.CCC(C)CCCC(C)C.Cc1ccc(C(C)C)cc1.
What is the InChIKey of 2,6-dimethyloctane;1-methyl-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylcyclohexane?
The InChIKey is IBJXARDIMOOSMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20.C10H14.C10H22/c2*1-8(2)10-6-4-9(3)5-7-10;1-5-10(4)8-6-7-9(2)3/h8-10H,4-7H2,1-3H3;4-8H,1-3H3;9-10H,5-8H2,1-4H3.
What are the key properties of 2,6-dimethyloctane;1-methyl-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylcyclohexane?
2,6-dimethyloctane;1-methyl-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylcyclohexane has a molecular weight of 416.78 g/mol, XLogP of 10.45, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyloctane;1-methyl-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylcyclohexane is sourced from PubChem (CID 158649690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).