1-(2,2-dimethylpropyl)-4-(4-methylcyclohex-2-en-1-yl)benzene

C18H26 — CID 143310420

IUPAC1-(2,2-dimethylpropyl)-4-(4-methylcyclohex-2-en-1-yl)benzene
SMILESCC1C=CC(c2ccc(CC(C)(C)C)cc2)CC1
InChIInChI=1S/C18H26/c1-14-5-9-16(10-6-14)17-11-7-15(8-12-17)13-18(2,3)4/h5,7-9,11-12,14,16H,6,10,13H2,1-4H3
InChIKeySUTBEFWEYBCQSM-UHFFFAOYSA-N
MW242.41 g/mol
LogP5.34
Rot. Bonds2

About 1-(2,2-dimethylpropyl)-4-(4-methylcyclohex-2-en-1-yl)benzene

1-(2,2-dimethylpropyl)-4-(4-methylcyclohex-2-en-1-yl)benzene (PubChem CID 143310420) has the molecular formula C18H26 and a molecular weight of 242.41 g/mol. Its IUPAC name is 1-(2,2-dimethylpropyl)-4-(4-methylcyclohex-2-en-1-yl)benzene.

Molecular Properties

Compound Name1-(2,2-dimethylpropyl)-4-(4-methylcyclohex-2-en-1-yl)benzene
PubChem CID143310420
Molecular FormulaC18H26
Molecular Weight242.41 g/mol
Exact Mass242.20
IUPAC Name1-(2,2-dimethylpropyl)-4-(4-methylcyclohex-2-en-1-yl)benzene
SMILESCC1C=CC(c2ccc(CC(C)(C)C)cc2)CC1
InChIInChI=1S/C18H26/c1-14-5-9-16(10-6-14)17-11-7-15(8-12-17)13-18(2,3)4/h5,7-9,11-12,14,16H,6,10,13H2,1-4H3
InChIKeySUTBEFWEYBCQSM-UHFFFAOYSA-N
XLogP5.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500242.41
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-[4-(2,2-dimethylpropyl)phenyl]piperidine
CID 117335235
1-[2-(4-ethylcyclohexyl)ethyl]-4-[4-[2-(4-pentylphenyl)ethyl]cyclohex-2-en-1-yl]benzene
CID 123661068
1-pentyl-4-(4-propylcyclohex-2-en-1-yl)benzene
CID 123902166
1-[[4-(2,2-dimethylpropyl)phenyl]methyl]cyclopropan-1-amine
CID 117310114
[4-(2,2-dimethylpropyl)phenyl]-trimethyl-λ4-sulfane
CID 166984179
1-(2,2-dimethylpropyl)-4-phenylbenzene
CID 23381564
1-(2,2-dimethylpropyl)-4-(trifluoromethyl)benzene
CID 14921472
1-(2,2-dimethylpropyl)-4-[[3-(2,2-dimethylpropyl)cyclopentyl]methoxymethyl]benzene
CID 140907989
1-[(E)-pent-3-enyl]-4-[4-[4-(4-propylphenyl)phenyl]cyclohex-2-en-1-yl]benzene
CID 140619230
(1S)-4-(4-methylphenyl)cyclohex-2-en-1-amine
CID 155107146
2,4,6-tris[4-(2,2-dimethylpropyl)phenyl]-1,3,5-triazine
CID 140828529
1-(2,2-dimethylpropyl)-4-propan-2-ylbenzene;methane
CID 166076943

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropyl)-4-(4-methylcyclohex-2-en-1-yl)benzene?
The IUPAC name of 1-(2,2-dimethylpropyl)-4-(4-methylcyclohex-2-en-1-yl)benzene (CID 143310420) is 1-(2,2-dimethylpropyl)-4-(4-methylcyclohex-2-en-1-yl)benzene.
What is the SMILES notation for 1-(2,2-dimethylpropyl)-4-(4-methylcyclohex-2-en-1-yl)benzene?
The canonical SMILES for 1-(2,2-dimethylpropyl)-4-(4-methylcyclohex-2-en-1-yl)benzene is CC1C=CC(c2ccc(CC(C)(C)C)cc2)CC1.
What is the InChIKey of 1-(2,2-dimethylpropyl)-4-(4-methylcyclohex-2-en-1-yl)benzene?
The InChIKey is SUTBEFWEYBCQSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26/c1-14-5-9-16(10-6-14)17-11-7-15(8-12-17)13-18(2,3)4/h5,7-9,11-12,14,16H,6,10,13H2,1-4H3.
What are the key properties of 1-(2,2-dimethylpropyl)-4-(4-methylcyclohex-2-en-1-yl)benzene?
1-(2,2-dimethylpropyl)-4-(4-methylcyclohex-2-en-1-yl)benzene has a molecular weight of 242.41 g/mol, XLogP of 5.34, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropyl)-4-(4-methylcyclohex-2-en-1-yl)benzene is sourced from PubChem (CID 143310420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).