bis(1,4-dimethylcyclohexane);1,2,3,5-tetramethylbenzene

C26H46 — CID 158011653

IUPACbis(1,4-dimethylcyclohexane);1,2,3,5-tetramethylbenzene
SMILESCC1CCC(C)CC1.CC1CCC(C)CC1.Cc1cc(C)c(C)c(C)c1
InChIInChI=1S/C10H14.2C8H16/c1-7-5-8(2)10(4)9(3)6-7;2*1-7-3-5-8(2)6-4-7/h5-6H,1-4H3;2*7-8H,3-6H2,1-2H3
InChIKeyFEYOEJXBJKUEDP-UHFFFAOYSA-N
MW358.65 g/mol
LogP8.59
Rot. Bonds

About bis(1,4-dimethylcyclohexane);1,2,3,5-tetramethylbenzene

bis(1,4-dimethylcyclohexane);1,2,3,5-tetramethylbenzene (PubChem CID 158011653) has the molecular formula C26H46 and a molecular weight of 358.65 g/mol. Its IUPAC name is bis(1,4-dimethylcyclohexane);1,2,3,5-tetramethylbenzene.

Molecular Properties

Compound Namebis(1,4-dimethylcyclohexane);1,2,3,5-tetramethylbenzene
PubChem CID158011653
Molecular FormulaC26H46
Molecular Weight358.65 g/mol
Exact Mass358.36
IUPAC Namebis(1,4-dimethylcyclohexane);1,2,3,5-tetramethylbenzene
SMILESCC1CCC(C)CC1.CC1CCC(C)CC1.Cc1cc(C)c(C)c(C)c1
InChIInChI=1S/C10H14.2C8H16/c1-7-5-8(2)10(4)9(3)6-7;2*1-7-3-5-8(2)6-4-7/h5-6H,1-4H3;2*7-8H,3-6H2,1-2H3
InChIKeyFEYOEJXBJKUEDP-UHFFFAOYSA-N
XLogP8.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.65
LogP ≤ 58.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

tetrakis(1,4-dimethylcyclohexane);2,5-dimethyl-1,3-dioxane;bis(2,5-dimethylpyrimidine);methane;bis(1,2,3,5-tetramethylbenzene)
CID 160544894
methylcyclopentane;1,3,5-trimethylbenzene
CID 159091428
1,4-dimethylcyclohexane;1-methyl-4-methylidenecyclohexane;1,2,3,4,5-pentamethylbenzene
CID 159634644
1,2,4,5-tetramethyl-3-[(4-methylcyclohexyl)methyl]benzene
CID 58224470
1,2,3,4-tetramethylbenzene;bis(1,2,3,5-tetramethylbenzene)
CID 158514008
tetrakis(1,4-dimethylcyclohexane);methane;1,4-xylene
CID 158719063
1,3-dimethylcyclohexane;methylcyclobutane;methylcyclohexane;methylcyclopentane;1,2,3,5-tetramethylbenzene;toluene;1,2-xylene;1,3-xylene;1,4-xylene
CID 161051504
N-ethyl-1-(4-methylcyclohexyl)-2-(2,4,6-trimethylphenyl)ethanamine
CID 63415653
cyclohexane;bis(1,3-difluoro-2,5-dimethylbenzene);1,4-dimethylcyclohexane;bis(2-fluoro-1,4-dimethylbenzene);bis(1,4-xylene)
CID 159241517
tetrakis(1,3-difluoro-2,5-dimethylbenzene);1,4-dimethylcyclohexane;tetrakis(2-fluoro-1,4-dimethylbenzene);methane;molecular hydrogen;bis(1,4-xylene)
CID 162180141
tetrakis(1,4-dimethylcyclohexane);methane;molecular hydrogen;bis(1,4-xylene)
CID 160768491
bis(1,4-dimethylcyclohexane);bis(2-fluoro-1,4-dimethylbenzene);1,4-xylene
CID 159175057

Frequently Asked Questions

What is the IUPAC name of bis(1,4-dimethylcyclohexane);1,2,3,5-tetramethylbenzene?
The IUPAC name of bis(1,4-dimethylcyclohexane);1,2,3,5-tetramethylbenzene (CID 158011653) is bis(1,4-dimethylcyclohexane);1,2,3,5-tetramethylbenzene.
What is the SMILES notation for bis(1,4-dimethylcyclohexane);1,2,3,5-tetramethylbenzene?
The canonical SMILES for bis(1,4-dimethylcyclohexane);1,2,3,5-tetramethylbenzene is CC1CCC(C)CC1.CC1CCC(C)CC1.Cc1cc(C)c(C)c(C)c1.
What is the InChIKey of bis(1,4-dimethylcyclohexane);1,2,3,5-tetramethylbenzene?
The InChIKey is FEYOEJXBJKUEDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14.2C8H16/c1-7-5-8(2)10(4)9(3)6-7;2*1-7-3-5-8(2)6-4-7/h5-6H,1-4H3;2*7-8H,3-6H2,1-2H3.
What are the key properties of bis(1,4-dimethylcyclohexane);1,2,3,5-tetramethylbenzene?
bis(1,4-dimethylcyclohexane);1,2,3,5-tetramethylbenzene has a molecular weight of 358.65 g/mol, XLogP of 8.59, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1,4-dimethylcyclohexane);1,2,3,5-tetramethylbenzene is sourced from PubChem (CID 158011653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).