hexakis(1,4-dimethylcyclohexane);hexakis(1,4-dimethylcyclohexene);hexakis(2,5-dimethyloxane);methane;molecular hydrogen;1,2,3,4-tetramethylbenzene;tris(1,4-xylene);yttrium

C195H406O6Y — CID 157096055

IUPAChexakis(1,4-dimethylcyclohexane);hexakis(1,4-dimethylcyclohexene);hexakis(2,5-dimethyloxane);methane;molecular hydrogen;1,2,3,4-tetramethylbenzene;tris(1,4-xylene);yttrium
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.CC1=CCC(C)CC1.CC1=CCC(C)CC1.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)CC1.CC1CCC(C)CC1.CC1CCC(C)OC1.CC1CCC(C)OC1.CC1CCC(C)OC1.CC1CCC(C)OC1.CC1CCC(C)OC1.CC1CCC(C)OC1.Cc1ccc(C)c(C)c1C.Cc1ccc(C)cc1.Cc1ccc(C)cc1.Cc1ccc(C)cc1.[H][H].[H][H].[H][H].[Y]
InChIInChI=1S/C10H14.6C8H16.6C8H14.3C8H10.6C7H14O.23CH4.Y.3H2/c1-7-5-6-8(2)10(4)9(7)3;15*1-7-3-5-8(2)6-4-7;6*1-6-3-4-7(2)8-5-6;;;;;;;;;;;;;;;;;;;;;;;;;;;/h5-6H,1-4H3;6*7-8H,3-6H2,1-2H3;6*3,8H,4-6H2,1-2H3;3*3-6H,1-2H3;6*6-7H,3-5H2,1-2H3;23*1H4;;3*1H
InChIKeyAFFJMGVTOPWYSU-UHFFFAOYSA-N
MW2936.29 g/mol
LogP69.64
Rot. Bonds

About hexakis(1,4-dimethylcyclohexane);hexakis(1,4-dimethylcyclohexene);hexakis(2,5-dimethyloxane);methane;molecular hydrogen;1,2,3,4-tetramethylbenzene;tris(1,4-xylene);yttrium

hexakis(1,4-dimethylcyclohexane);hexakis(1,4-dimethylcyclohexene);hexakis(2,5-dimethyloxane);methane;molecular hydrogen;1,2,3,4-tetramethylbenzene;tris(1,4-xylene);yttrium (PubChem CID 157096055) has the molecular formula C195H406O6Y and a molecular weight of 2936.29 g/mol. Its IUPAC name is hexakis(1,4-dimethylcyclohexane);hexakis(1,4-dimethylcyclohexene);hexakis(2,5-dimethyloxane);methane;molecular hydrogen;1,2,3,4-tetramethylbenzene;tris(1,4-xylene);yttrium.

Molecular Properties

Compound Namehexakis(1,4-dimethylcyclohexane);hexakis(1,4-dimethylcyclohexene);hexakis(2,5-dimethyloxane);methane;molecular hydrogen;1,2,3,4-tetramethylbenzene;tris(1,4-xylene);yttrium
PubChem CID157096055
Molecular FormulaC195H406O6Y
Molecular Weight2936.29 g/mol
Exact Mass2934.05
IUPAC Namehexakis(1,4-dimethylcyclohexane);hexakis(1,4-dimethylcyclohexene);hexakis(2,5-dimethyloxane);methane;molecular hydrogen;1,2,3,4-tetramethylbenzene;tris(1,4-xylene);yttrium
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.CC1=CCC(C)CC1.CC1=CCC(C)CC1.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)CC1.CC1CCC(C)CC1.CC1CCC(C)OC1.CC1CCC(C)OC1.CC1CCC(C)OC1.CC1CCC(C)OC1.CC1CCC(C)OC1.CC1CCC(C)OC1.Cc1ccc(C)c(C)c1C.Cc1ccc(C)cc1.Cc1ccc(C)cc1.Cc1ccc(C)cc1.[H][H].[H][H].[H][H].[Y]
InChIInChI=1S/C10H14.6C8H16.6C8H14.3C8H10.6C7H14O.23CH4.Y.3H2/c1-7-5-6-8(2)10(4)9(7)3;15*1-7-3-5-8(2)6-4-7;6*1-6-3-4-7(2)8-5-6;;;;;;;;;;;;;;;;;;;;;;;;;;;/h5-6H,1-4H3;6*7-8H,3-6H2,1-2H3;6*3,8H,4-6H2,1-2H3;3*3-6H,1-2H3;6*6-7H,3-5H2,1-2H3;23*1H4;;3*1H
InChIKeyAFFJMGVTOPWYSU-UHFFFAOYSA-N
XLogP69.64
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms202
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002936.29
LogP ≤ 569.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze hexakis(1,4-dimethylcyclohexane);hexakis(1,4-dimethylcyclohexene);hexakis(2,5-dimethyloxane);methane;molecular hydrogen;1,2,3,4-tetramethylbenzene;tris(1,4-xylene);yttrium with MolForge

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Frequently Asked Questions

What is the IUPAC name of hexakis(1,4-dimethylcyclohexane);hexakis(1,4-dimethylcyclohexene);hexakis(2,5-dimethyloxane);methane;molecular hydrogen;1,2,3,4-tetramethylbenzene;tris(1,4-xylene);yttrium?
The IUPAC name of hexakis(1,4-dimethylcyclohexane);hexakis(1,4-dimethylcyclohexene);hexakis(2,5-dimethyloxane);methane;molecular hydrogen;1,2,3,4-tetramethylbenzene;tris(1,4-xylene);yttrium (CID 157096055) is hexakis(1,4-dimethylcyclohexane);hexakis(1,4-dimethylcyclohexene);hexakis(2,5-dimethyloxane);methane;molecular hydrogen;1,2,3,4-tetramethylbenzene;tris(1,4-xylene);yttrium.
What is the SMILES notation for hexakis(1,4-dimethylcyclohexane);hexakis(1,4-dimethylcyclohexene);hexakis(2,5-dimethyloxane);methane;molecular hydrogen;1,2,3,4-tetramethylbenzene;tris(1,4-xylene);yttrium?
The canonical SMILES for hexakis(1,4-dimethylcyclohexane);hexakis(1,4-dimethylcyclohexene);hexakis(2,5-dimethyloxane);methane;molecular hydrogen;1,2,3,4-tetramethylbenzene;tris(1,4-xylene);yttrium is C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.CC1=CCC(C)CC1.CC1=CCC(C)CC1.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)CC1.CC1CCC(C)CC1.CC1CCC(C)OC1.CC1CCC(C)OC1.CC1CCC(C)OC1.CC1CCC(C)OC1.CC1CCC(C)OC1.CC1CCC(C)OC1.Cc1ccc(C)c(C)c1C.Cc1ccc(C)cc1.Cc1ccc(C)cc1.Cc1ccc(C)cc1.[H][H].[H][H].[H][H].[Y].
What is the InChIKey of hexakis(1,4-dimethylcyclohexane);hexakis(1,4-dimethylcyclohexene);hexakis(2,5-dimethyloxane);methane;molecular hydrogen;1,2,3,4-tetramethylbenzene;tris(1,4-xylene);yttrium?
The InChIKey is AFFJMGVTOPWYSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14.6C8H16.6C8H14.3C8H10.6C7H14O.23CH4.Y.3H2/c1-7-5-6-8(2)10(4)9(7)3;15*1-7-3-5-8(2)6-4-7;6*1-6-3-4-7(2)8-5-6;;;;;;;;;;;;;;;;;;;;;;;;;;;/h5-6H,1-4H3;6*7-8H,3-6H2,1-2H3;6*3,8H,4-6H2,1-2H3;3*3-6H,1-2H3;6*6-7H,3-5H2,1-2H3;23*1H4;;3*1H.
What are the key properties of hexakis(1,4-dimethylcyclohexane);hexakis(1,4-dimethylcyclohexene);hexakis(2,5-dimethyloxane);methane;molecular hydrogen;1,2,3,4-tetramethylbenzene;tris(1,4-xylene);yttrium?
hexakis(1,4-dimethylcyclohexane);hexakis(1,4-dimethylcyclohexene);hexakis(2,5-dimethyloxane);methane;molecular hydrogen;1,2,3,4-tetramethylbenzene;tris(1,4-xylene);yttrium has a molecular weight of 2936.29 g/mol, XLogP of 69.64, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for hexakis(1,4-dimethylcyclohexane);hexakis(1,4-dimethylcyclohexene);hexakis(2,5-dimethyloxane);methane;molecular hydrogen;1,2,3,4-tetramethylbenzene;tris(1,4-xylene);yttrium is sourced from PubChem (CID 157096055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).