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

C36H50 — CID 54321435

IUPAC1,2,4,5-tetramethyl-3-[[2-methyl-4-[(4-methylcyclohexyl)methyl]phenyl]methyl]-6-[(4-prop-2-ynylcyclohexyl)methyl]benzene
SMILESC#CCC1CCC(Cc2c(C)c(C)c(Cc3ccc(CC4CCC(C)CC4)cc3C)c(C)c2C)CC1
InChIInChI=1S/C36H50/c1-8-9-30-14-16-32(17-15-30)22-35-26(4)28(6)36(29(7)27(35)5)23-34-19-18-33(20-25(34)3)21-31-12-10-24(2)11-13-31/h1,18-20,24,30-32H,9-17,21-23H2,2-7H3
InChIKeySRYROALWGDJYDL-UHFFFAOYSA-N
MW482.80 g/mol
LogP9.56
Rot. Bonds7

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

1,2,4,5-tetramethyl-3-[[2-methyl-4-[(4-methylcyclohexyl)methyl]phenyl]methyl]-6-[(4-prop-2-ynylcyclohexyl)methyl]benzene (PubChem CID 54321435) has the molecular formula C36H50 and a molecular weight of 482.80 g/mol. Its IUPAC name is 1,2,4,5-tetramethyl-3-[[2-methyl-4-[(4-methylcyclohexyl)methyl]phenyl]methyl]-6-[(4-prop-2-ynylcyclohexyl)methyl]benzene.

Molecular Properties

Compound Name1,2,4,5-tetramethyl-3-[[2-methyl-4-[(4-methylcyclohexyl)methyl]phenyl]methyl]-6-[(4-prop-2-ynylcyclohexyl)methyl]benzene
PubChem CID54321435
Molecular FormulaC36H50
Molecular Weight482.80 g/mol
Exact Mass482.39
IUPAC Name1,2,4,5-tetramethyl-3-[[2-methyl-4-[(4-methylcyclohexyl)methyl]phenyl]methyl]-6-[(4-prop-2-ynylcyclohexyl)methyl]benzene
SMILESC#CCC1CCC(Cc2c(C)c(C)c(Cc3ccc(CC4CCC(C)CC4)cc3C)c(C)c2C)CC1
InChIInChI=1S/C36H50/c1-8-9-30-14-16-32(17-15-30)22-35-26(4)28(6)36(29(7)27(35)5)23-34-19-18-33(20-25(34)3)21-31-12-10-24(2)11-13-31/h1,18-20,24,30-32H,9-17,21-23H2,2-7H3
InChIKeySRYROALWGDJYDL-UHFFFAOYSA-N
XLogP9.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.80
LogP ≤ 59.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,2,4,5-tetramethyl-3,6-bis[(4-methylcyclohexyl)methyl]benzene
CID 59048903
1,2,4,5-tetramethyl-3-[(4-methylcyclohexyl)methyl]benzene
CID 58224470
1,4-bis(cyclohexylmethyl)-2-methylbenzene
CID 154475769
1,4-bis[(4-methylcyclohexyl)methyl]benzene;ethane
CID 91321679
2,6-dimethyl-4-[(4-methylcyclohexyl)methyl]benzonitrile;vanadium
CID 159912405
1-(cyclopropylmethyl)-4-(4-methylcyclohexyl)benzene
CID 163396253
4-(cyclopropylmethyl)-2-methylaniline
CID 131504223
1-[(4-ethylcyclohexyl)methyl]-4-[[4-[(4-methylcyclohexyl)methyl]phenyl]methyl]benzene
CID 59265507
1,3-dimethyl-5-[(4-methylcyclohexyl)methyl]-2-[2-[4-[2-(4-methylphenyl)ethynyl]phenyl]ethynyl]benzene
CID 21359772
5-[2-[4-[2-[2-fluoro-4-[(4-methylcyclohexyl)methyl]phenyl]ethynyl]phenyl]ethynyl]-1,2,3-trimethylbenzene
CID 21360213
1-methyl-3-[[4-(4-methylcyclohexyl)cyclohexyl]methyl]benzene
CID 158679875
1-[[2,3-difluoro-4-[(4-methylcyclohexyl)methyl]phenyl]methyl]-2,3-difluoro-4-methylbenzene
CID 134273621

Frequently Asked Questions

What is the IUPAC name of 1,2,4,5-tetramethyl-3-[[2-methyl-4-[(4-methylcyclohexyl)methyl]phenyl]methyl]-6-[(4-prop-2-ynylcyclohexyl)methyl]benzene?
The IUPAC name of 1,2,4,5-tetramethyl-3-[[2-methyl-4-[(4-methylcyclohexyl)methyl]phenyl]methyl]-6-[(4-prop-2-ynylcyclohexyl)methyl]benzene (CID 54321435) is 1,2,4,5-tetramethyl-3-[[2-methyl-4-[(4-methylcyclohexyl)methyl]phenyl]methyl]-6-[(4-prop-2-ynylcyclohexyl)methyl]benzene.
What is the SMILES notation for 1,2,4,5-tetramethyl-3-[[2-methyl-4-[(4-methylcyclohexyl)methyl]phenyl]methyl]-6-[(4-prop-2-ynylcyclohexyl)methyl]benzene?
The canonical SMILES for 1,2,4,5-tetramethyl-3-[[2-methyl-4-[(4-methylcyclohexyl)methyl]phenyl]methyl]-6-[(4-prop-2-ynylcyclohexyl)methyl]benzene is C#CCC1CCC(Cc2c(C)c(C)c(Cc3ccc(CC4CCC(C)CC4)cc3C)c(C)c2C)CC1.
What is the InChIKey of 1,2,4,5-tetramethyl-3-[[2-methyl-4-[(4-methylcyclohexyl)methyl]phenyl]methyl]-6-[(4-prop-2-ynylcyclohexyl)methyl]benzene?
The InChIKey is SRYROALWGDJYDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H50/c1-8-9-30-14-16-32(17-15-30)22-35-26(4)28(6)36(29(7)27(35)5)23-34-19-18-33(20-25(34)3)21-31-12-10-24(2)11-13-31/h1,18-20,24,30-32H,9-17,21-23H2,2-7H3.
What are the key properties of 1,2,4,5-tetramethyl-3-[[2-methyl-4-[(4-methylcyclohexyl)methyl]phenyl]methyl]-6-[(4-prop-2-ynylcyclohexyl)methyl]benzene?
1,2,4,5-tetramethyl-3-[[2-methyl-4-[(4-methylcyclohexyl)methyl]phenyl]methyl]-6-[(4-prop-2-ynylcyclohexyl)methyl]benzene has a molecular weight of 482.80 g/mol, XLogP of 9.56, 7 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-[[2-methyl-4-[(4-methylcyclohexyl)methyl]phenyl]methyl]-6-[(4-prop-2-ynylcyclohexyl)methyl]benzene is sourced from PubChem (CID 54321435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).