1-(3,3-dimethylbutan-2-yl)-4-methylcyclohexane;4-(2,2-dimethylpropyl)-1,2-dimethylbenzene

C26H46 — CID 162223528

IUPAC1-(3,3-dimethylbutan-2-yl)-4-methylcyclohexane;4-(2,2-dimethylpropyl)-1,2-dimethylbenzene
SMILESCC1CCC(C(C)C(C)(C)C)CC1.Cc1ccc(CC(C)(C)C)cc1C
InChIInChI=1S/C13H26.C13H20/c1-10-6-8-12(9-7-10)11(2)13(3,4)5;1-10-6-7-12(8-11(10)2)9-13(3,4)5/h10-12H,6-9H2,1-5H3;6-8H,9H2,1-5H3
InChIKeyZULISYNKBHNCOU-UHFFFAOYSA-N
MW358.65 g/mol
LogP8.39
Rot. Bonds2

About 1-(3,3-dimethylbutan-2-yl)-4-methylcyclohexane;4-(2,2-dimethylpropyl)-1,2-dimethylbenzene

1-(3,3-dimethylbutan-2-yl)-4-methylcyclohexane;4-(2,2-dimethylpropyl)-1,2-dimethylbenzene (PubChem CID 162223528) has the molecular formula C26H46 and a molecular weight of 358.65 g/mol. Its IUPAC name is 1-(3,3-dimethylbutan-2-yl)-4-methylcyclohexane;4-(2,2-dimethylpropyl)-1,2-dimethylbenzene.

Molecular Properties

Compound Name1-(3,3-dimethylbutan-2-yl)-4-methylcyclohexane;4-(2,2-dimethylpropyl)-1,2-dimethylbenzene
PubChem CID162223528
Molecular FormulaC26H46
Molecular Weight358.65 g/mol
Exact Mass358.36
IUPAC Name1-(3,3-dimethylbutan-2-yl)-4-methylcyclohexane;4-(2,2-dimethylpropyl)-1,2-dimethylbenzene
SMILESCC1CCC(C(C)C(C)(C)C)CC1.Cc1ccc(CC(C)(C)C)cc1C
InChIInChI=1S/C13H26.C13H20/c1-10-6-8-12(9-7-10)11(2)13(3,4)5;1-10-6-7-12(8-11(10)2)9-13(3,4)5/h10-12H,6-9H2,1-5H3;6-8H,9H2,1-5H3
InChIKeyZULISYNKBHNCOU-UHFFFAOYSA-N
XLogP8.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.65
LogP ≤ 58.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4-(2,2-dimethylpropyl)-1,2-dimethylbenzene;ethane
CID 157353786
2-(3,4-dimethylphenyl)-1-(4-methylcyclohexyl)ethanamine
CID 63415430
2-(3,4-dimethylphenyl)-1-(4-methylcyclohexyl)ethanol
CID 63410724
1-(3,4-dimethylphenyl)-4-(2,2-dimethylpropyl)-2-methylbenzene
CID 162137474
[2-[(3,4-dimethylphenyl)methyl]-4-methylcyclohexyl]methanamine
CID 81010415
(3,4-dimethylphenyl)-(4-methylcyclohexyl)methanamine
CID 62549202
1-[2-(3,4-dimethylphenyl)-1,1-difluoroethyl]-2-methyl-4-(4-methylcyclohexyl)benzene
CID 156648938
1-(3,4-dimethylphenyl)-4,6,6-trimethylheptan-2-amine
CID 115816480
N-[(3,4-dimethylphenyl)methyl]-2,4-dimethylcyclohexan-1-amine
CID 63994501
3-(3,4-dimethylphenyl)-2,2-dimethyl-N-propan-2-ylpropan-1-amine
CID 62723735
1-cyclopropyl-3-(3,4-dimethylphenyl)-1-methoxypropan-2-ol
CID 116712521
1,2-dimethyl-4-[3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propyl]benzene
CID 134199507

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethylbutan-2-yl)-4-methylcyclohexane;4-(2,2-dimethylpropyl)-1,2-dimethylbenzene?
The IUPAC name of 1-(3,3-dimethylbutan-2-yl)-4-methylcyclohexane;4-(2,2-dimethylpropyl)-1,2-dimethylbenzene (CID 162223528) is 1-(3,3-dimethylbutan-2-yl)-4-methylcyclohexane;4-(2,2-dimethylpropyl)-1,2-dimethylbenzene.
What is the SMILES notation for 1-(3,3-dimethylbutan-2-yl)-4-methylcyclohexane;4-(2,2-dimethylpropyl)-1,2-dimethylbenzene?
The canonical SMILES for 1-(3,3-dimethylbutan-2-yl)-4-methylcyclohexane;4-(2,2-dimethylpropyl)-1,2-dimethylbenzene is CC1CCC(C(C)C(C)(C)C)CC1.Cc1ccc(CC(C)(C)C)cc1C.
What is the InChIKey of 1-(3,3-dimethylbutan-2-yl)-4-methylcyclohexane;4-(2,2-dimethylpropyl)-1,2-dimethylbenzene?
The InChIKey is ZULISYNKBHNCOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26.C13H20/c1-10-6-8-12(9-7-10)11(2)13(3,4)5;1-10-6-7-12(8-11(10)2)9-13(3,4)5/h10-12H,6-9H2,1-5H3;6-8H,9H2,1-5H3.
What are the key properties of 1-(3,3-dimethylbutan-2-yl)-4-methylcyclohexane;4-(2,2-dimethylpropyl)-1,2-dimethylbenzene?
1-(3,3-dimethylbutan-2-yl)-4-methylcyclohexane;4-(2,2-dimethylpropyl)-1,2-dimethylbenzene has a molecular weight of 358.65 g/mol, XLogP of 8.39, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethylbutan-2-yl)-4-methylcyclohexane;4-(2,2-dimethylpropyl)-1,2-dimethylbenzene is sourced from PubChem (CID 162223528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).