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

C18H28 — CID 58224470

IUPAC1,2,4,5-tetramethyl-3-[(4-methylcyclohexyl)methyl]benzene
SMILESCc1cc(C)c(C)c(CC2CCC(C)CC2)c1C
InChIInChI=1S/C18H28/c1-12-6-8-17(9-7-12)11-18-15(4)13(2)10-14(3)16(18)5/h10,12,17H,6-9,11H2,1-5H3
InChIKeyCDOUVIRFJYYQOT-UHFFFAOYSA-N
MW244.42 g/mol
LogP5.29
Rot. Bonds2

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

1,2,4,5-tetramethyl-3-[(4-methylcyclohexyl)methyl]benzene (PubChem CID 58224470) has the molecular formula C18H28 and a molecular weight of 244.42 g/mol. Its IUPAC name is 1,2,4,5-tetramethyl-3-[(4-methylcyclohexyl)methyl]benzene.

Molecular Properties

Compound Name1,2,4,5-tetramethyl-3-[(4-methylcyclohexyl)methyl]benzene
PubChem CID58224470
Molecular FormulaC18H28
Molecular Weight244.42 g/mol
Exact Mass244.22
IUPAC Name1,2,4,5-tetramethyl-3-[(4-methylcyclohexyl)methyl]benzene
SMILESCc1cc(C)c(C)c(CC2CCC(C)CC2)c1C
InChIInChI=1S/C18H28/c1-12-6-8-17(9-7-12)11-18-15(4)13(2)10-14(3)16(18)5/h10,12,17H,6-9,11H2,1-5H3
InChIKeyCDOUVIRFJYYQOT-UHFFFAOYSA-N
XLogP5.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500244.42
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1,2,4,5-tetramethyl-3-[(4-methylcyclohexyl)methyl]benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,2,4,5-tetramethyl-3,6-bis[(4-methylcyclohexyl)methyl]benzene
CID 59048903
bis(1,4-dimethylcyclohexane);1,2,3,5-tetramethylbenzene
CID 158011653
1,2,4,5-tetramethyl-3-[[2-methyl-4-[(4-methylcyclohexyl)methyl]phenyl]methyl]-6-[(4-prop-2-ynylcyclohexyl)methyl]benzene
CID 54321435
1,4-bis[(4-methylcyclohexyl)methyl]benzene;ethane
CID 91321679
1,3-difluoro-2-[(4-methylcyclohexyl)methyl]benzene;ethane
CID 143149652
2,6-dimethyl-4-[(4-methylcyclohexyl)methyl]benzonitrile;vanadium
CID 159912405
5-[(4-methylcyclohexyl)methyl]-2-[(3,4,5-trimethylphenyl)methyl]-1,3-dioxane
CID 20591367
1,4-dimethylcyclohexane;1-methyl-4-methylidenecyclohexane;1,2,3,4,5-pentamethylbenzene
CID 159634644
1,6-dimethyl-4-[(4-methylcyclohexyl)methyl]naphthalene
CID 123270650
1-chloro-2-(cyclopropylmethyl)-3,5-dimethylbenzene
CID 143995722
2-[difluoro-(3,4,5-trimethylphenoxy)methyl]-1,3-difluoro-5-[(4-methylcyclohexyl)methyl]benzene
CID 21363214
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-[(4-methylcyclohexyl)methyl]benzene?
The IUPAC name of 1,2,4,5-tetramethyl-3-[(4-methylcyclohexyl)methyl]benzene (CID 58224470) is 1,2,4,5-tetramethyl-3-[(4-methylcyclohexyl)methyl]benzene.
What is the SMILES notation for 1,2,4,5-tetramethyl-3-[(4-methylcyclohexyl)methyl]benzene?
The canonical SMILES for 1,2,4,5-tetramethyl-3-[(4-methylcyclohexyl)methyl]benzene is Cc1cc(C)c(C)c(CC2CCC(C)CC2)c1C.
What is the InChIKey of 1,2,4,5-tetramethyl-3-[(4-methylcyclohexyl)methyl]benzene?
The InChIKey is CDOUVIRFJYYQOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28/c1-12-6-8-17(9-7-12)11-18-15(4)13(2)10-14(3)16(18)5/h10,12,17H,6-9,11H2,1-5H3.
What are the key properties of 1,2,4,5-tetramethyl-3-[(4-methylcyclohexyl)methyl]benzene?
1,2,4,5-tetramethyl-3-[(4-methylcyclohexyl)methyl]benzene has a molecular weight of 244.42 g/mol, XLogP of 5.29, 2 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-[(4-methylcyclohexyl)methyl]benzene is sourced from PubChem (CID 58224470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).