1-[2-(2,2-dimethylpropyl)-5,5-dimethylcyclohexen-1-yl]-4-methylbenzene

C20H30 — CID 59734944

IUPAC1-[2-(2,2-dimethylpropyl)-5,5-dimethylcyclohexen-1-yl]-4-methylbenzene
SMILESCc1ccc(C2=C(CC(C)(C)C)CCC(C)(C)C2)cc1
InChIInChI=1S/C20H30/c1-15-7-9-16(10-8-15)18-14-20(5,6)12-11-17(18)13-19(2,3)4/h7-10H,11-14H2,1-6H3
InChIKeyUFJMHTOXWCQFQQ-UHFFFAOYSA-N
MW270.46 g/mol
LogP6.39
Rot. Bonds2

About 1-[2-(2,2-dimethylpropyl)-5,5-dimethylcyclohexen-1-yl]-4-methylbenzene

1-[2-(2,2-dimethylpropyl)-5,5-dimethylcyclohexen-1-yl]-4-methylbenzene (PubChem CID 59734944) has the molecular formula C20H30 and a molecular weight of 270.46 g/mol. Its IUPAC name is 1-[2-(2,2-dimethylpropyl)-5,5-dimethylcyclohexen-1-yl]-4-methylbenzene.

Molecular Properties

Compound Name1-[2-(2,2-dimethylpropyl)-5,5-dimethylcyclohexen-1-yl]-4-methylbenzene
PubChem CID59734944
Molecular FormulaC20H30
Molecular Weight270.46 g/mol
Exact Mass270.23
IUPAC Name1-[2-(2,2-dimethylpropyl)-5,5-dimethylcyclohexen-1-yl]-4-methylbenzene
SMILESCc1ccc(C2=C(CC(C)(C)C)CCC(C)(C)C2)cc1
InChIInChI=1S/C20H30/c1-15-7-9-16(10-8-15)18-14-20(5,6)12-11-17(18)13-19(2,3)4/h7-10H,11-14H2,1-6H3
InChIKeyUFJMHTOXWCQFQQ-UHFFFAOYSA-N
XLogP6.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.46
LogP ≤ 56.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3-[[2-(4-chlorophenyl)-4,4-dimethylcyclohexen-1-yl]methyl]-3,6-diazabicyclo[3.1.1]heptane
CID 170784611
1-[[2-(4-chlorophenyl)-4,4-dimethylcyclohexen-1-yl]methyl]piperazine;hydron;chloride
CID 130277568
1-[[4,4-dimethyl-2-[4-(trifluoromethoxy)phenyl]cyclohexen-1-yl]methyl]piperazine
CID 141314202
(2-ethyl-4,4-dimethylcyclohexen-1-yl)benzene
CID 59224827
(2S)-1-[[2-(4-chlorophenyl)-4,4-dimethylcyclohexen-1-yl]methyl]-2-methylpiperazine
CID 124565284
4-[[2-(3,4-dichlorophenyl)-4,4-dimethylcyclohexen-1-yl]methyl]piperidine
CID 151591203
3,5,5-trimethyl-2-[4-(4-methylphenyl)phenyl]-6,7-dihydro-4H-1-benzothiophene
CID 145031429
1-[[2-(4-chlorophenyl)-4,4-dimethylcyclohexen-1-yl]methyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
CID 89498342
4-[(2S)-2-bromo-4-[[2-(4-chlorophenyl)-4,4-dimethylcyclohexen-1-yl]methyl]piperazin-1-yl]benzoic acid
CID 146404152
4-[4-[[2-(4-chlorophenyl)-4,4-dimethylcyclohexen-1-yl]methyl]piperazin-1-yl]benzenesulfinate
CID 166818013
4-(2,2-dimethylpropyl)-2-methyl-1-(4-methylphenyl)benzene
CID 163976840
1-chloro-4-methylbenzene;1-methylsulfonyl-4-(2,4,4-trimethylcyclopenten-1-yl)benzene
CID 142970865

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,2-dimethylpropyl)-5,5-dimethylcyclohexen-1-yl]-4-methylbenzene?
The IUPAC name of 1-[2-(2,2-dimethylpropyl)-5,5-dimethylcyclohexen-1-yl]-4-methylbenzene (CID 59734944) is 1-[2-(2,2-dimethylpropyl)-5,5-dimethylcyclohexen-1-yl]-4-methylbenzene.
What is the SMILES notation for 1-[2-(2,2-dimethylpropyl)-5,5-dimethylcyclohexen-1-yl]-4-methylbenzene?
The canonical SMILES for 1-[2-(2,2-dimethylpropyl)-5,5-dimethylcyclohexen-1-yl]-4-methylbenzene is Cc1ccc(C2=C(CC(C)(C)C)CCC(C)(C)C2)cc1.
What is the InChIKey of 1-[2-(2,2-dimethylpropyl)-5,5-dimethylcyclohexen-1-yl]-4-methylbenzene?
The InChIKey is UFJMHTOXWCQFQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30/c1-15-7-9-16(10-8-15)18-14-20(5,6)12-11-17(18)13-19(2,3)4/h7-10H,11-14H2,1-6H3.
What are the key properties of 1-[2-(2,2-dimethylpropyl)-5,5-dimethylcyclohexen-1-yl]-4-methylbenzene?
1-[2-(2,2-dimethylpropyl)-5,5-dimethylcyclohexen-1-yl]-4-methylbenzene has a molecular weight of 270.46 g/mol, XLogP of 6.39, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,2-dimethylpropyl)-5,5-dimethylcyclohexen-1-yl]-4-methylbenzene is sourced from PubChem (CID 59734944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).