tetrakis(1,4-dimethylcyclohexane);tetrakis(1,4-dimethylcyclohexene);tetrakis(2,5-dimethyloxane);methane;molecular hydrogen;bis(1,4-xylene);yttrium

C109H204O4Y — CID 159607097

About tetrakis(1,4-dimethylcyclohexane);tetrakis(1,4-dimethylcyclohexene);tetrakis(2,5-dimethyloxane);methane;molecular hydrogen;bis(1,4-xylene);yttrium

tetrakis(1,4-dimethylcyclohexane);tetrakis(1,4-dimethylcyclohexene);tetrakis(2,5-dimethyloxane);methane;molecular hydrogen;bis(1,4-xylene);yttrium (PubChem CID 159607097) has the molecular formula C109H204O4Y and a molecular weight of 1667.73 g/mol. Its IUPAC name is tetrakis(1,4-dimethylcyclohexane);tetrakis(1,4-dimethylcyclohexene);tetrakis(2,5-dimethyloxane);methane;molecular hydrogen;bis(1,4-xylene);yttrium.

Molecular Properties

• Compound Name: tetrakis(1,4-dimethylcyclohexane);tetrakis(1,4-dimethylcyclohexene);tetrakis(2,5-dimethyloxane);methane;molecular hydrogen;bis(1,4-xylene);yttrium
• PubChem CID: 159607097
• Molecular Formula: C109H204O4Y
• Molecular Weight: 1667.73 g/mol
• Exact Mass: 1666.48
• IUPAC Name: tetrakis(1,4-dimethylcyclohexane);tetrakis(1,4-dimethylcyclohexene);tetrakis(2,5-dimethyloxane);methane;molecular hydrogen;bis(1,4-xylene);yttrium
• SMILES: C.CC1=CCC(C)CC1.CC1=CCC(C)CC1.CC1=CCC(C)CC1.CC1=CCC(C)CC1.CC1CCC(C)CC1.CC1CCC(C)CC1.CC1CCC(C)CC1.CC1CCC(C)CC1.CC1CCC(C)OC1.CC1CCC(C)OC1.CC1CCC(C)OC1.CC1CCC(C)OC1.Cc1ccc(C)cc1.Cc1ccc(C)cc1.[H][H].[H][H].[Y]
• InChI: InChI=1S/4C8H16.4C8H14.2C8H10.4C7H14O.CH4.Y.2H2/c10*1-7-3-5-8(2)6-4-7;4*1-6-3-4-7(2)8-5-6;;;;/h4*7-8H,3-6H2,1-2H3;4*3,8H,4-6H2,1-2H3;2*3-6H,1-2H3;4*6-7H,3-5H2,1-2H3;1H4;;2*1H
• InChIKey: MMFGRJZDGDSGNY-UHFFFAOYSA-N
• XLogP: 35.36
• TPSA: 36.92 Ų
• H-Bond Acceptors: 4
• Heavy Atoms: 114
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1667.73
LogP ≤ 5	35.36
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tetrakis(1,4-dimethylcyclohexane);tetrakis(1,4-dimethylcyclohexene);tetrakis(2,5-dimethyloxane);methane;molecular hydrogen;bis(1,4-xylene);yttrium?

The IUPAC name of tetrakis(1,4-dimethylcyclohexane);tetrakis(1,4-dimethylcyclohexene);tetrakis(2,5-dimethyloxane);methane;molecular hydrogen;bis(1,4-xylene);yttrium (CID 159607097) is tetrakis(1,4-dimethylcyclohexane);tetrakis(1,4-dimethylcyclohexene);tetrakis(2,5-dimethyloxane);methane;molecular hydrogen;bis(1,4-xylene);yttrium.

What is the SMILES notation for tetrakis(1,4-dimethylcyclohexane);tetrakis(1,4-dimethylcyclohexene);tetrakis(2,5-dimethyloxane);methane;molecular hydrogen;bis(1,4-xylene);yttrium?

The canonical SMILES for tetrakis(1,4-dimethylcyclohexane);tetrakis(1,4-dimethylcyclohexene);tetrakis(2,5-dimethyloxane);methane;molecular hydrogen;bis(1,4-xylene);yttrium is C.CC1=CCC(C)CC1.CC1=CCC(C)CC1.CC1=CCC(C)CC1.CC1=CCC(C)CC1.CC1CCC(C)CC1.CC1CCC(C)CC1.CC1CCC(C)CC1.CC1CCC(C)CC1.CC1CCC(C)OC1.CC1CCC(C)OC1.CC1CCC(C)OC1.CC1CCC(C)OC1.Cc1ccc(C)cc1.Cc1ccc(C)cc1.[H][H].[H][H].[Y].

What is the InChIKey of tetrakis(1,4-dimethylcyclohexane);tetrakis(1,4-dimethylcyclohexene);tetrakis(2,5-dimethyloxane);methane;molecular hydrogen;bis(1,4-xylene);yttrium?

The InChIKey is MMFGRJZDGDSGNY-UHFFFAOYSA-N. The full InChI is InChI=1S/4C8H16.4C8H14.2C8H10.4C7H14O.CH4.Y.2H2/c10*1-7-3-5-8(2)6-4-7;4*1-6-3-4-7(2)8-5-6;;;;/h4*7-8H,3-6H2,1-2H3;4*3,8H,4-6H2,1-2H3;2*3-6H,1-2H3;4*6-7H,3-5H2,1-2H3;1H4;;2*1H.

What are the key properties of tetrakis(1,4-dimethylcyclohexane);tetrakis(1,4-dimethylcyclohexene);tetrakis(2,5-dimethyloxane);methane;molecular hydrogen;bis(1,4-xylene);yttrium?

tetrakis(1,4-dimethylcyclohexane);tetrakis(1,4-dimethylcyclohexene);tetrakis(2,5-dimethyloxane);methane;molecular hydrogen;bis(1,4-xylene);yttrium has a molecular weight of 1667.73 g/mol, XLogP of 35.36, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for tetrakis(1,4-dimethylcyclohexane);tetrakis(1,4-dimethylcyclohexene);tetrakis(2,5-dimethyloxane);methane;molecular hydrogen;bis(1,4-xylene);yttrium is sourced from PubChem (CID 159607097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).