1-cyclohexyl-4-methylcyclohexane;methane;1-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;yttrium

C34H57Y- — CID 158696039

IUPAC1-cyclohexyl-4-methylcyclohexane;methane;1-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;yttrium
SMILESC.CC1CCC(C2CC[CH-]CC2)CC1.Cc1ccc(C2CCC(C3CCC(C)CC3)CC2)cc1.[Y]
InChIInChI=1S/C20H30.C13H23.CH4.Y/c1-15-3-7-17(8-4-15)19-11-13-20(14-12-19)18-9-5-16(2)6-10-18;1-11-7-9-13(10-8-11)12-5-3-2-4-6-12;;/h3-4,7-8,16,18-20H,5-6,9-14H2,1-2H3;2,11-13H,3-10H2,1H3;1H4;/q;-1;;
InChIKeyFRMMQEQQOSHACE-UHFFFAOYSA-N
MW554.74 g/mol
LogP10.94
Rot. Bonds3

About 1-cyclohexyl-4-methylcyclohexane;methane;1-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;yttrium

1-cyclohexyl-4-methylcyclohexane;methane;1-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;yttrium (PubChem CID 158696039) has the molecular formula C34H57Y- and a molecular weight of 554.74 g/mol. Its IUPAC name is 1-cyclohexyl-4-methylcyclohexane;methane;1-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;yttrium.

Molecular Properties

Compound Name1-cyclohexyl-4-methylcyclohexane;methane;1-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;yttrium
PubChem CID158696039
Molecular FormulaC34H57Y-
Molecular Weight554.74 g/mol
Exact Mass554.35
IUPAC Name1-cyclohexyl-4-methylcyclohexane;methane;1-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;yttrium
SMILESC.CC1CCC(C2CC[CH-]CC2)CC1.Cc1ccc(C2CCC(C3CCC(C)CC3)CC2)cc1.[Y]
InChIInChI=1S/C20H30.C13H23.CH4.Y/c1-15-3-7-17(8-4-15)19-11-13-20(14-12-19)18-9-5-16(2)6-10-18;1-11-7-9-13(10-8-11)12-5-3-2-4-6-12;;/h3-4,7-8,16,18-20H,5-6,9-14H2,1-2H3;2,11-13H,3-10H2,1H3;1H4;/q;-1;;
InChIKeyFRMMQEQQOSHACE-UHFFFAOYSA-N
XLogP10.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.74
LogP ≤ 510.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-cyclohexyl-4-methylcyclohexane;methane;1-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;yttrium with MolForge

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Related Compounds

1-methyl-4-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]benzene
CID 20580006
bis(1-methyl-4-(4-methylcyclohexyl)benzene);hexakis(1-methyl-4-(4-methylcyclohexyl)cyclohexane);bis(1-methyl-4-(4-methylphenyl)benzene)
CID 157498601
1-cyclohexyl-4-methylcyclohexane;bis(yttrium)
CID 18720967
1-cyclopropyl-4-methylbenzene;ethane;methane
CID 164862835
ethane;methane;1-methyl-4-[[4-[[4-(4-methylcyclohexyl)phenyl]methyl]phenyl]methyl]benzene
CID 158300950
1-cyclohexyl-4-methylcyclohexane;1-cyclohexyl-4-[4-(4-methylcyclohexyl)phenyl]benzene;2-fluoro-4-[4-(4-methylcyclohexyl)phenyl]-1-(4-methylphenyl)benzene;2-fluoro-4-(4-methylphenyl)-1-phenylbenzene;4-(4-methylcyclohexyl)phenol;tetrakis(yttrium)
CID 161196421
1-methyl-4-[2-[4-(4-methylcyclohexyl)phenyl]ethyl]benzene
CID 20579999
1,3-difluoro-2,5-dimethylbenzene;bis(1,4-dimethylcyclohexane);2-fluoro-1,4-dimethylbenzene;methane;1-methyl-4-(4-methylcyclohexyl)benzene;1-methyl-4-(4-methylcyclohexyl)cyclohexane;bis(1,4-xylene)
CID 161434306
1-(4-cyclohexylcyclohexyl)-4-methylbenzene;ethane
CID 91432939
tetrakis(1,4-dimethylcyclohexane);methane;1,4-xylene
CID 158719063
1-methyl-4-(4-methylcyclohexyl)benzene;1-methyl-4-(4-methylcyclohexyl)cyclohexane;methyl 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate;1-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene
CID 159746470
ethane;1-methyl-4-[4-(4-methylcyclohexyl)oxycyclohexyl]benzene
CID 54304761

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-4-methylcyclohexane;methane;1-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;yttrium?
The IUPAC name of 1-cyclohexyl-4-methylcyclohexane;methane;1-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;yttrium (CID 158696039) is 1-cyclohexyl-4-methylcyclohexane;methane;1-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;yttrium.
What is the SMILES notation for 1-cyclohexyl-4-methylcyclohexane;methane;1-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;yttrium?
The canonical SMILES for 1-cyclohexyl-4-methylcyclohexane;methane;1-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;yttrium is C.CC1CCC(C2CC[CH-]CC2)CC1.Cc1ccc(C2CCC(C3CCC(C)CC3)CC2)cc1.[Y].
What is the InChIKey of 1-cyclohexyl-4-methylcyclohexane;methane;1-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;yttrium?
The InChIKey is FRMMQEQQOSHACE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30.C13H23.CH4.Y/c1-15-3-7-17(8-4-15)19-11-13-20(14-12-19)18-9-5-16(2)6-10-18;1-11-7-9-13(10-8-11)12-5-3-2-4-6-12;;/h3-4,7-8,16,18-20H,5-6,9-14H2,1-2H3;2,11-13H,3-10H2,1H3;1H4;/q;-1;;.
What are the key properties of 1-cyclohexyl-4-methylcyclohexane;methane;1-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;yttrium?
1-cyclohexyl-4-methylcyclohexane;methane;1-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;yttrium has a molecular weight of 554.74 g/mol, XLogP of 10.94, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-4-methylcyclohexane;methane;1-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;yttrium is sourced from PubChem (CID 158696039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).