1,2,3-trimethyl-4-[4-[(4-methylcyclohexyl)methyl]cyclohexyl]benzene

C23H36 — CID 20708971

IUPAC1,2,3-trimethyl-4-[4-[(4-methylcyclohexyl)methyl]cyclohexyl]benzene
SMILESCc1ccc(C2CCC(CC3CCC(C)CC3)CC2)c(C)c1C
InChIInChI=1S/C23H36/c1-16-5-8-20(9-6-16)15-21-10-12-22(13-11-21)23-14-7-17(2)18(3)19(23)4/h7,14,16,20-22H,5-6,8-13,15H2,1-4H3
InChIKeyIGEVBHBYAABTDA-UHFFFAOYSA-N
MW312.54 g/mol
LogP7.10
Rot. Bonds3

About 1,2,3-trimethyl-4-[4-[(4-methylcyclohexyl)methyl]cyclohexyl]benzene

1,2,3-trimethyl-4-[4-[(4-methylcyclohexyl)methyl]cyclohexyl]benzene (PubChem CID 20708971) has the molecular formula C23H36 and a molecular weight of 312.54 g/mol. Its IUPAC name is 1,2,3-trimethyl-4-[4-[(4-methylcyclohexyl)methyl]cyclohexyl]benzene.

Molecular Properties

Compound Name1,2,3-trimethyl-4-[4-[(4-methylcyclohexyl)methyl]cyclohexyl]benzene
PubChem CID20708971
Molecular FormulaC23H36
Molecular Weight312.54 g/mol
Exact Mass312.28
IUPAC Name1,2,3-trimethyl-4-[4-[(4-methylcyclohexyl)methyl]cyclohexyl]benzene
SMILESCc1ccc(C2CCC(CC3CCC(C)CC3)CC2)c(C)c1C
InChIInChI=1S/C23H36/c1-16-5-8-20(9-6-16)15-21-10-12-22(13-11-21)23-14-7-17(2)18(3)19(23)4/h7,14,16,20-22H,5-6,8-13,15H2,1-4H3
InChIKeyIGEVBHBYAABTDA-UHFFFAOYSA-N
XLogP7.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.54
LogP ≤ 57.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3-fluoro-1,2-dimethyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene
CID 71046263
1-[4-[4-(cyclopentylmethyl)cyclohexyl]cyclohexyl]-2,3-difluoro-4-methylbenzene
CID 170391070
methane;1-methyl-4-[[4-[[4-[(4-methylcyclohexyl)methyl]cyclohexyl]methyl]cyclohexyl]methyl]cyclohexane
CID 161317011
methane;1-methyl-4-[[4-[[4-[(4-methylcyclohexyl)methyl]cyclohexyl]methyl]cyclohexyl]methyl]cyclohexane
CID 158911211
ethane;1-methyl-4-[(4-methylcyclohexyl)methyl]cyclohexane
CID 143714212
1-cyclopropyl-2-iodo-3,4-dimethylbenzene
CID 170981929
CID 161186786
CID 161186786
2,3-difluoro-1-methyl-4-[[4-[(4-methylcyclohexyl)methyl]cyclohexyl]methyl]benzene;methane
CID 158762023
2-[(4-methylcyclohexyl)methyl]-2,3-dihydro-1H-indene
CID 143683497
5-(2,3-difluoro-4-methylphenyl)-2-[2-(4-methylcyclohexyl)ethyl]oxane
CID 21337869
1,4-bis[(4-methylcyclohexyl)methyl]cyclohexane;bis(1,3-difluoro-2,5-dimethylbenzene);1,4-difluoro-2,5-dimethylbenzene;2,3-difluoro-1,4-dimethylbenzene;bis(2-fluoro-1,4-dimethylbenzene);methane;1,4-xylene
CID 158469546
1,4-bis[(4-methylcyclohexyl)methyl]cyclohexane;bis(1,3-difluoro-2,5-dimethylbenzene);1,4-difluoro-2,5-dimethylbenzene;2,3-difluoro-1,4-dimethylbenzene;bis(2-fluoro-1,4-dimethylbenzene);methane;1,4-xylene
CID 159879283

Frequently Asked Questions

What is the IUPAC name of 1,2,3-trimethyl-4-[4-[(4-methylcyclohexyl)methyl]cyclohexyl]benzene?
The IUPAC name of 1,2,3-trimethyl-4-[4-[(4-methylcyclohexyl)methyl]cyclohexyl]benzene (CID 20708971) is 1,2,3-trimethyl-4-[4-[(4-methylcyclohexyl)methyl]cyclohexyl]benzene.
What is the SMILES notation for 1,2,3-trimethyl-4-[4-[(4-methylcyclohexyl)methyl]cyclohexyl]benzene?
The canonical SMILES for 1,2,3-trimethyl-4-[4-[(4-methylcyclohexyl)methyl]cyclohexyl]benzene is Cc1ccc(C2CCC(CC3CCC(C)CC3)CC2)c(C)c1C.
What is the InChIKey of 1,2,3-trimethyl-4-[4-[(4-methylcyclohexyl)methyl]cyclohexyl]benzene?
The InChIKey is IGEVBHBYAABTDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36/c1-16-5-8-20(9-6-16)15-21-10-12-22(13-11-21)23-14-7-17(2)18(3)19(23)4/h7,14,16,20-22H,5-6,8-13,15H2,1-4H3.
What are the key properties of 1,2,3-trimethyl-4-[4-[(4-methylcyclohexyl)methyl]cyclohexyl]benzene?
1,2,3-trimethyl-4-[4-[(4-methylcyclohexyl)methyl]cyclohexyl]benzene has a molecular weight of 312.54 g/mol, XLogP of 7.10, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-trimethyl-4-[4-[(4-methylcyclohexyl)methyl]cyclohexyl]benzene is sourced from PubChem (CID 20708971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).