1-(4-tert-butylcyclohexyl)-4-methylbenzene;ethane;1-(4-ethylphenyl)-2,4-dimethylbenzene

C35H50 — CID 143942561

IUPAC1-(4-tert-butylcyclohexyl)-4-methylbenzene;ethane;1-(4-ethylphenyl)-2,4-dimethylbenzene
SMILESCC.CCc1ccc(-c2ccc(C)cc2C)cc1.Cc1ccc(C2CCC(C(C)(C)C)CC2)cc1
InChIInChI=1S/C17H26.C16H18.C2H6/c1-13-5-7-14(8-6-13)15-9-11-16(12-10-15)17(2,3)4;1-4-14-6-8-15(9-7-14)16-10-5-12(2)11-13(16)3;1-2/h5-8,15-16H,9-12H2,1-4H3;5-11H,4H2,1-3H3;1-2H3
InChIKeyIRWUAJABZOIUSB-UHFFFAOYSA-N
MW470.79 g/mol
LogP10.87
Rot. Bonds3

About 1-(4-tert-butylcyclohexyl)-4-methylbenzene;ethane;1-(4-ethylphenyl)-2,4-dimethylbenzene

1-(4-tert-butylcyclohexyl)-4-methylbenzene;ethane;1-(4-ethylphenyl)-2,4-dimethylbenzene (PubChem CID 143942561) has the molecular formula C35H50 and a molecular weight of 470.79 g/mol. Its IUPAC name is 1-(4-tert-butylcyclohexyl)-4-methylbenzene;ethane;1-(4-ethylphenyl)-2,4-dimethylbenzene.

Molecular Properties

Compound Name1-(4-tert-butylcyclohexyl)-4-methylbenzene;ethane;1-(4-ethylphenyl)-2,4-dimethylbenzene
PubChem CID143942561
Molecular FormulaC35H50
Molecular Weight470.79 g/mol
Exact Mass470.39
IUPAC Name1-(4-tert-butylcyclohexyl)-4-methylbenzene;ethane;1-(4-ethylphenyl)-2,4-dimethylbenzene
SMILESCC.CCc1ccc(-c2ccc(C)cc2C)cc1.Cc1ccc(C2CCC(C(C)(C)C)CC2)cc1
InChIInChI=1S/C17H26.C16H18.C2H6/c1-13-5-7-14(8-6-13)15-9-11-16(12-10-15)17(2,3)4;1-4-14-6-8-15(9-7-14)16-10-5-12(2)11-13(16)3;1-2/h5-8,15-16H,9-12H2,1-4H3;5-11H,4H2,1-3H3;1-2H3
InChIKeyIRWUAJABZOIUSB-UHFFFAOYSA-N
XLogP10.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.79
LogP ≤ 510.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylcyclohexyl)-4-methylbenzene;ethane;1-(4-ethylphenyl)-2,4-dimethylbenzene?
The IUPAC name of 1-(4-tert-butylcyclohexyl)-4-methylbenzene;ethane;1-(4-ethylphenyl)-2,4-dimethylbenzene (CID 143942561) is 1-(4-tert-butylcyclohexyl)-4-methylbenzene;ethane;1-(4-ethylphenyl)-2,4-dimethylbenzene.
What is the SMILES notation for 1-(4-tert-butylcyclohexyl)-4-methylbenzene;ethane;1-(4-ethylphenyl)-2,4-dimethylbenzene?
The canonical SMILES for 1-(4-tert-butylcyclohexyl)-4-methylbenzene;ethane;1-(4-ethylphenyl)-2,4-dimethylbenzene is CC.CCc1ccc(-c2ccc(C)cc2C)cc1.Cc1ccc(C2CCC(C(C)(C)C)CC2)cc1.
What is the InChIKey of 1-(4-tert-butylcyclohexyl)-4-methylbenzene;ethane;1-(4-ethylphenyl)-2,4-dimethylbenzene?
The InChIKey is IRWUAJABZOIUSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26.C16H18.C2H6/c1-13-5-7-14(8-6-13)15-9-11-16(12-10-15)17(2,3)4;1-4-14-6-8-15(9-7-14)16-10-5-12(2)11-13(16)3;1-2/h5-8,15-16H,9-12H2,1-4H3;5-11H,4H2,1-3H3;1-2H3.
What are the key properties of 1-(4-tert-butylcyclohexyl)-4-methylbenzene;ethane;1-(4-ethylphenyl)-2,4-dimethylbenzene?
1-(4-tert-butylcyclohexyl)-4-methylbenzene;ethane;1-(4-ethylphenyl)-2,4-dimethylbenzene has a molecular weight of 470.79 g/mol, XLogP of 10.87, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylcyclohexyl)-4-methylbenzene;ethane;1-(4-ethylphenyl)-2,4-dimethylbenzene is sourced from PubChem (CID 143942561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).