1,2,4,5-tetramethyl-3,6-bis[(4-methylcyclohexyl)methyl]benzene

C26H42 — CID 59048903

IUPAC1,2,4,5-tetramethyl-3,6-bis[(4-methylcyclohexyl)methyl]benzene
SMILESCc1c(C)c(CC2CCC(C)CC2)c(C)c(C)c1CC1CCC(C)CC1
InChIInChI=1S/C26H42/c1-17-7-11-23(12-8-17)15-25-19(3)21(5)26(22(6)20(25)4)16-24-13-9-18(2)10-14-24/h17-18,23-24H,7-16H2,1-6H3
InChIKeyJYYLXMQPTDVZFN-UHFFFAOYSA-N
MW354.62 g/mol
LogP7.66
Rot. Bonds4

About 1,2,4,5-tetramethyl-3,6-bis[(4-methylcyclohexyl)methyl]benzene

1,2,4,5-tetramethyl-3,6-bis[(4-methylcyclohexyl)methyl]benzene (PubChem CID 59048903) has the molecular formula C26H42 and a molecular weight of 354.62 g/mol. Its IUPAC name is 1,2,4,5-tetramethyl-3,6-bis[(4-methylcyclohexyl)methyl]benzene.

Molecular Properties

Compound Name1,2,4,5-tetramethyl-3,6-bis[(4-methylcyclohexyl)methyl]benzene
PubChem CID59048903
Molecular FormulaC26H42
Molecular Weight354.62 g/mol
Exact Mass354.33
IUPAC Name1,2,4,5-tetramethyl-3,6-bis[(4-methylcyclohexyl)methyl]benzene
SMILESCc1c(C)c(CC2CCC(C)CC2)c(C)c(C)c1CC1CCC(C)CC1
InChIInChI=1S/C26H42/c1-17-7-11-23(12-8-17)15-25-19(3)21(5)26(22(6)20(25)4)16-24-13-9-18(2)10-14-24/h17-18,23-24H,7-16H2,1-6H3
InChIKeyJYYLXMQPTDVZFN-UHFFFAOYSA-N
XLogP7.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.62
LogP ≤ 57.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,2,4,5-tetramethyl-3,6-bis[(4-methylcyclohexyl)methyl]benzene?
The IUPAC name of 1,2,4,5-tetramethyl-3,6-bis[(4-methylcyclohexyl)methyl]benzene (CID 59048903) is 1,2,4,5-tetramethyl-3,6-bis[(4-methylcyclohexyl)methyl]benzene.
What is the SMILES notation for 1,2,4,5-tetramethyl-3,6-bis[(4-methylcyclohexyl)methyl]benzene?
The canonical SMILES for 1,2,4,5-tetramethyl-3,6-bis[(4-methylcyclohexyl)methyl]benzene is Cc1c(C)c(CC2CCC(C)CC2)c(C)c(C)c1CC1CCC(C)CC1.
What is the InChIKey of 1,2,4,5-tetramethyl-3,6-bis[(4-methylcyclohexyl)methyl]benzene?
The InChIKey is JYYLXMQPTDVZFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H42/c1-17-7-11-23(12-8-17)15-25-19(3)21(5)26(22(6)20(25)4)16-24-13-9-18(2)10-14-24/h17-18,23-24H,7-16H2,1-6H3.
What are the key properties of 1,2,4,5-tetramethyl-3,6-bis[(4-methylcyclohexyl)methyl]benzene?
1,2,4,5-tetramethyl-3,6-bis[(4-methylcyclohexyl)methyl]benzene has a molecular weight of 354.62 g/mol, XLogP of 7.66, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4,5-tetramethyl-3,6-bis[(4-methylcyclohexyl)methyl]benzene is sourced from PubChem (CID 59048903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).