tetrakis(1,4-dimethylcyclohexane);methane;1,4-xylene

C44H90 — CID 158719063

IUPACtetrakis(1,4-dimethylcyclohexane);methane;1,4-xylene
SMILESC.C.C.C.CC1CCC(C)CC1.CC1CCC(C)CC1.CC1CCC(C)CC1.CC1CCC(C)CC1.Cc1ccc(C)cc1
InChIInChI=1S/4C8H16.C8H10.4CH4/c5*1-7-3-5-8(2)6-4-7;;;;/h4*7-8H,3-6H2,1-2H3;3-6H,1-2H3;4*1H4
InChIKeyIJRJVEGLEBNPBY-UHFFFAOYSA-N
MW619.20 g/mol
LogP16.18
Rot. Bonds

About tetrakis(1,4-dimethylcyclohexane);methane;1,4-xylene

tetrakis(1,4-dimethylcyclohexane);methane;1,4-xylene (PubChem CID 158719063) has the molecular formula C44H90 and a molecular weight of 619.20 g/mol. Its IUPAC name is tetrakis(1,4-dimethylcyclohexane);methane;1,4-xylene.

Molecular Properties

Compound Nametetrakis(1,4-dimethylcyclohexane);methane;1,4-xylene
PubChem CID158719063
Molecular FormulaC44H90
Molecular Weight619.20 g/mol
Exact Mass618.70
IUPAC Nametetrakis(1,4-dimethylcyclohexane);methane;1,4-xylene
SMILESC.C.C.C.CC1CCC(C)CC1.CC1CCC(C)CC1.CC1CCC(C)CC1.CC1CCC(C)CC1.Cc1ccc(C)cc1
InChIInChI=1S/4C8H16.C8H10.4CH4/c5*1-7-3-5-8(2)6-4-7;;;;/h4*7-8H,3-6H2,1-2H3;3-6H,1-2H3;4*1H4
InChIKeyIJRJVEGLEBNPBY-UHFFFAOYSA-N
XLogP16.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500619.20
LogP ≤ 516.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,4-Dicyclohexylbenzene
CID 70664
p-(1-Adamantyl)toluene
CID 300774
1-(trans-4-Pentylcyclohexyl)-4-propylbenzene
CID 576134
1-Phenyladamantane
CID 522696
1-Methyl-4-[(trans,trans)-4'-propyl[1,1'-bicyclohexyl]-4-yl]benzene
CID 576378
1,1'-Biphenyl, 4-ethyl-4'-(4-propylcyclohexyl)-, trans-
CID 606477
1,1'-Biphenyl, 4-ethyl-4'-(4-pentylcyclohexyl)-
CID 630553
4,4'-Bis(trans-4-propylcyclohexyl)biphenyl
CID 634081
(trans(trans))-4-(4-Pentylcyclohexyl)-4'-(4-propylcyclohexyl)biphenyl
CID 634748
1,4-Bis(P-tolyl)-1,3-butadiene
CID 5376805
2-Phenyladamantane
CID 527341
(E)-1,2-Bis(4-methylphenyl)ethene
CID 5462964

Frequently Asked Questions

What is the IUPAC name of tetrakis(1,4-dimethylcyclohexane);methane;1,4-xylene?
The IUPAC name of tetrakis(1,4-dimethylcyclohexane);methane;1,4-xylene (CID 158719063) is tetrakis(1,4-dimethylcyclohexane);methane;1,4-xylene.
What is the SMILES notation for tetrakis(1,4-dimethylcyclohexane);methane;1,4-xylene?
The canonical SMILES for tetrakis(1,4-dimethylcyclohexane);methane;1,4-xylene is C.C.C.C.CC1CCC(C)CC1.CC1CCC(C)CC1.CC1CCC(C)CC1.CC1CCC(C)CC1.Cc1ccc(C)cc1.
What is the InChIKey of tetrakis(1,4-dimethylcyclohexane);methane;1,4-xylene?
The InChIKey is IJRJVEGLEBNPBY-UHFFFAOYSA-N. The full InChI is InChI=1S/4C8H16.C8H10.4CH4/c5*1-7-3-5-8(2)6-4-7;;;;/h4*7-8H,3-6H2,1-2H3;3-6H,1-2H3;4*1H4.
What are the key properties of tetrakis(1,4-dimethylcyclohexane);methane;1,4-xylene?
tetrakis(1,4-dimethylcyclohexane);methane;1,4-xylene has a molecular weight of 619.20 g/mol, XLogP of 16.18, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(1,4-dimethylcyclohexane);methane;1,4-xylene is sourced from PubChem (CID 158719063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).