tris(1,4-dimethylcyclohexane);methane;yttrium

C26H56Y — CID 165073168

IUPACtris(1,4-dimethylcyclohexane);methane;yttrium
SMILESC.C.CC1CCC(C)CC1.CC1CCC(C)CC1.CC1CCC(C)CC1.[Y]
InChIInChI=1S/3C8H16.2CH4.Y/c3*1-7-3-5-8(2)6-4-7;;;/h3*7-8H,3-6H2,1-2H3;2*1H4;
InChIKeyTWFOWSHMPOYCID-UHFFFAOYSA-N
MW457.64 g/mol
LogP9.77
Rot. Bonds

About tris(1,4-dimethylcyclohexane);methane;yttrium

tris(1,4-dimethylcyclohexane);methane;yttrium (PubChem CID 165073168) has the molecular formula C26H56Y and a molecular weight of 457.64 g/mol. Its IUPAC name is tris(1,4-dimethylcyclohexane);methane;yttrium.

Molecular Properties

Compound Nametris(1,4-dimethylcyclohexane);methane;yttrium
PubChem CID165073168
Molecular FormulaC26H56Y
Molecular Weight457.64 g/mol
Exact Mass457.34
IUPAC Nametris(1,4-dimethylcyclohexane);methane;yttrium
SMILESC.C.CC1CCC(C)CC1.CC1CCC(C)CC1.CC1CCC(C)CC1.[Y]
InChIInChI=1S/3C8H16.2CH4.Y/c3*1-7-3-5-8(2)6-4-7;;;/h3*7-8H,3-6H2,1-2H3;2*1H4;
InChIKeyTWFOWSHMPOYCID-UHFFFAOYSA-N
XLogP9.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.64
LogP ≤ 59.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze tris(1,4-dimethylcyclohexane);methane;yttrium 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

bis(1,4-dimethylcyclohexane);methane
CID 161326462
tetrakis(1,4-dimethylcyclohexane);methane;molecular hydrogen
CID 160864488
tetrakis(1,4-dimethylcyclohexane);methane;hydrofluoride;hydroiodide
CID 160985954
ethane;methane;methylcyclopropane
CID 159551011
bis(1,4-dimethylcyclohexane);methane;propane
CID 159253657
1,4-dimethylcyclohexane;methanol
CID 70358527
1,4-dimethylcyclohexane;ethane;sulfane
CID 142040311
1,2,3,4,7-pentamethylcyclononane
CID 123773414
tetrakis(1,4-dimethylcyclohexane);methane;molecular hydrogen;hydrofluoride;hydroiodide
CID 159297560
1,4-dimethylcyclohexane;ethane;methane;propane
CID 143683179
ethane;methylcyclopropane
CID 158329065
2,2-dimethylpropane;methane;methylcyclopropane
CID 161488522

Frequently Asked Questions

What is the IUPAC name of tris(1,4-dimethylcyclohexane);methane;yttrium?
The IUPAC name of tris(1,4-dimethylcyclohexane);methane;yttrium (CID 165073168) is tris(1,4-dimethylcyclohexane);methane;yttrium.
What is the SMILES notation for tris(1,4-dimethylcyclohexane);methane;yttrium?
The canonical SMILES for tris(1,4-dimethylcyclohexane);methane;yttrium is C.C.CC1CCC(C)CC1.CC1CCC(C)CC1.CC1CCC(C)CC1.[Y].
What is the InChIKey of tris(1,4-dimethylcyclohexane);methane;yttrium?
The InChIKey is TWFOWSHMPOYCID-UHFFFAOYSA-N. The full InChI is InChI=1S/3C8H16.2CH4.Y/c3*1-7-3-5-8(2)6-4-7;;;/h3*7-8H,3-6H2,1-2H3;2*1H4;.
What are the key properties of tris(1,4-dimethylcyclohexane);methane;yttrium?
tris(1,4-dimethylcyclohexane);methane;yttrium has a molecular weight of 457.64 g/mol, XLogP of 9.77, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tris(1,4-dimethylcyclohexane);methane;yttrium is sourced from PubChem (CID 165073168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).