[4-(4-ethenylcyclohexyl)cyclohexyl]benzene;(4-methylcyclohexyl)benzene;4-(4-methylcyclohexyl)cyclohexan-1-ol;1-methyl-4-phenylbenzene;4-(4-methylphenyl)phenol;pentakis(yttrium)

C72H91O2Y5-3 — CID 159979273

IUPAC[4-(4-ethenylcyclohexyl)cyclohexyl]benzene;(4-methylcyclohexyl)benzene;4-(4-methylcyclohexyl)cyclohexan-1-ol;1-methyl-4-phenylbenzene;4-(4-methylphenyl)phenol;pentakis(yttrium)
SMILESC=CC1CCC(C2CCC(c3cc[c-]cc3)CC2)CC1.CC1CCC(C2CCC(O)CC2)CC1.CC1CCC(c2cc[c-]cc2)CC1.Cc1ccc(-c2cc[c-]cc2)cc1.Cc1ccc(-c2ccc(O)cc2)cc1.[Y].[Y].[Y].[Y].[Y]
InChIInChI=1S/C20H27.C13H24O.C13H12O.C13H17.C13H11.5Y/c1-2-16-8-10-18(11-9-16)20-14-12-19(13-15-20)17-6-4-3-5-7-17;2*1-10-2-4-11(5-3-10)12-6-8-13(14)9-7-12;2*1-11-7-9-13(10-8-11)12-5-3-2-4-6-12;;;;;/h2,4-7,16,18-20H,1,8-15H2;10-14H,2-9H2,1H3;2-9,14H,1H3;3-6,11,13H,7-10H2,1H3;3-10H,1H3;;;;;/q-1;;;2*-1;;;;;
InChIKeyAWZKIIPCHPEJNQ-UHFFFAOYSA-N
MW1433.05 g/mol
LogP19.71
Rot. Bonds7

About [4-(4-ethenylcyclohexyl)cyclohexyl]benzene;(4-methylcyclohexyl)benzene;4-(4-methylcyclohexyl)cyclohexan-1-ol;1-methyl-4-phenylbenzene;4-(4-methylphenyl)phenol;pentakis(yttrium)

[4-(4-ethenylcyclohexyl)cyclohexyl]benzene;(4-methylcyclohexyl)benzene;4-(4-methylcyclohexyl)cyclohexan-1-ol;1-methyl-4-phenylbenzene;4-(4-methylphenyl)phenol;pentakis(yttrium) (PubChem CID 159979273) has the molecular formula C72H91O2Y5-3 and a molecular weight of 1433.05 g/mol. Its IUPAC name is [4-(4-ethenylcyclohexyl)cyclohexyl]benzene;(4-methylcyclohexyl)benzene;4-(4-methylcyclohexyl)cyclohexan-1-ol;1-methyl-4-phenylbenzene;4-(4-methylphenyl)phenol;pentakis(yttrium).

Molecular Properties

Compound Name[4-(4-ethenylcyclohexyl)cyclohexyl]benzene;(4-methylcyclohexyl)benzene;4-(4-methylcyclohexyl)cyclohexan-1-ol;1-methyl-4-phenylbenzene;4-(4-methylphenyl)phenol;pentakis(yttrium)
PubChem CID159979273
Molecular FormulaC72H91O2Y5-3
Molecular Weight1433.05 g/mol
Exact Mass1432.23
IUPAC Name[4-(4-ethenylcyclohexyl)cyclohexyl]benzene;(4-methylcyclohexyl)benzene;4-(4-methylcyclohexyl)cyclohexan-1-ol;1-methyl-4-phenylbenzene;4-(4-methylphenyl)phenol;pentakis(yttrium)
SMILESC=CC1CCC(C2CCC(c3cc[c-]cc3)CC2)CC1.CC1CCC(C2CCC(O)CC2)CC1.CC1CCC(c2cc[c-]cc2)CC1.Cc1ccc(-c2cc[c-]cc2)cc1.Cc1ccc(-c2ccc(O)cc2)cc1.[Y].[Y].[Y].[Y].[Y]
InChIInChI=1S/C20H27.C13H24O.C13H12O.C13H17.C13H11.5Y/c1-2-16-8-10-18(11-9-16)20-14-12-19(13-15-20)17-6-4-3-5-7-17;2*1-10-2-4-11(5-3-10)12-6-8-13(14)9-7-12;2*1-11-7-9-13(10-8-11)12-5-3-2-4-6-12;;;;;/h2,4-7,16,18-20H,1,8-15H2;10-14H,2-9H2,1H3;2-9,14H,1H3;3-6,11,13H,7-10H2,1H3;3-10H,1H3;;;;;/q-1;;;2*-1;;;;;
InChIKeyAWZKIIPCHPEJNQ-UHFFFAOYSA-N
XLogP19.71
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms79
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001433.05
LogP ≤ 519.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [4-(4-ethenylcyclohexyl)cyclohexyl]benzene;(4-methylcyclohexyl)benzene;4-(4-methylcyclohexyl)cyclohexan-1-ol;1-methyl-4-phenylbenzene;4-(4-methylphenyl)phenol;pentakis(yttrium) with MolForge

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Related Compounds

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
[4-(4-ethenylcyclohexyl)cyclohexyl]benzene;1-[4-(4-ethenylcyclohexyl)cyclohexyl]-2,3-difluoro-4-methylbenzene;1-[4-(4-ethenylcyclohexyl)phenyl]-2,3-difluoro-4-methylbenzene;1-ethenyl-4-(4-methylcyclohexyl)cyclohexane;yttrium
CID 161483988
bis(1-methyl-4-(4-methylcyclohexyl)benzene);hexakis(1-methyl-4-(4-methylcyclohexyl)cyclohexane);bis(1-methyl-4-(4-methylphenyl)benzene)
CID 157498601
1-[4-(4-ethenylcyclohexyl)cyclohexyl]-4-methylbenzene;methane;molecular hydrogen
CID 161187621
1-cyclohexyl-4-methylcyclohexane;2,3-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]phenol;2,3-difluoro-4-(4-methylcyclohexyl)phenol;2,3-difluoro-4-[4-(4-methylcyclohexyl)phenyl]phenol;2,3-difluoro-4-(4-methylphenyl)phenol;2,3-difluoro-1-(4-methylphenyl)-4-phenylbenzene;4-[4-(4-methylcyclohexyl)cyclohexyl]phenol;4-(4-methylcyclohexyl)phenol;octakis(yttrium)
CID 162055480
1-(4-methylcyclohexyl)-4-phenylbenzene;yttrium(3+)
CID 18720903
(4-methylcyclohexyl)benzene;bis(yttrium)
CID 18720966
1-methyl-4-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]benzene
CID 20580006
(4-methylcyclohexyl)benzene;yttrium(3+)
CID 18720907
1-cyclohexyl-4-methylcyclohexane;methane;1-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;yttrium
CID 158696039
1-[4-(4-ethenylcyclohexyl)cyclohexyl]-4-methylbenzene;ethyl(methyl)phosphane;molecular hydrogen
CID 158183639
4-(4-ethenylcyclohexyl)cyclohexan-1-ol
CID 129130656

Frequently Asked Questions

What is the IUPAC name of [4-(4-ethenylcyclohexyl)cyclohexyl]benzene;(4-methylcyclohexyl)benzene;4-(4-methylcyclohexyl)cyclohexan-1-ol;1-methyl-4-phenylbenzene;4-(4-methylphenyl)phenol;pentakis(yttrium)?
The IUPAC name of [4-(4-ethenylcyclohexyl)cyclohexyl]benzene;(4-methylcyclohexyl)benzene;4-(4-methylcyclohexyl)cyclohexan-1-ol;1-methyl-4-phenylbenzene;4-(4-methylphenyl)phenol;pentakis(yttrium) (CID 159979273) is [4-(4-ethenylcyclohexyl)cyclohexyl]benzene;(4-methylcyclohexyl)benzene;4-(4-methylcyclohexyl)cyclohexan-1-ol;1-methyl-4-phenylbenzene;4-(4-methylphenyl)phenol;pentakis(yttrium).
What is the SMILES notation for [4-(4-ethenylcyclohexyl)cyclohexyl]benzene;(4-methylcyclohexyl)benzene;4-(4-methylcyclohexyl)cyclohexan-1-ol;1-methyl-4-phenylbenzene;4-(4-methylphenyl)phenol;pentakis(yttrium)?
The canonical SMILES for [4-(4-ethenylcyclohexyl)cyclohexyl]benzene;(4-methylcyclohexyl)benzene;4-(4-methylcyclohexyl)cyclohexan-1-ol;1-methyl-4-phenylbenzene;4-(4-methylphenyl)phenol;pentakis(yttrium) is C=CC1CCC(C2CCC(c3cc[c-]cc3)CC2)CC1.CC1CCC(C2CCC(O)CC2)CC1.CC1CCC(c2cc[c-]cc2)CC1.Cc1ccc(-c2cc[c-]cc2)cc1.Cc1ccc(-c2ccc(O)cc2)cc1.[Y].[Y].[Y].[Y].[Y].
What is the InChIKey of [4-(4-ethenylcyclohexyl)cyclohexyl]benzene;(4-methylcyclohexyl)benzene;4-(4-methylcyclohexyl)cyclohexan-1-ol;1-methyl-4-phenylbenzene;4-(4-methylphenyl)phenol;pentakis(yttrium)?
The InChIKey is AWZKIIPCHPEJNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27.C13H24O.C13H12O.C13H17.C13H11.5Y/c1-2-16-8-10-18(11-9-16)20-14-12-19(13-15-20)17-6-4-3-5-7-17;2*1-10-2-4-11(5-3-10)12-6-8-13(14)9-7-12;2*1-11-7-9-13(10-8-11)12-5-3-2-4-6-12;;;;;/h2,4-7,16,18-20H,1,8-15H2;10-14H,2-9H2,1H3;2-9,14H,1H3;3-6,11,13H,7-10H2,1H3;3-10H,1H3;;;;;/q-1;;;2*-1;;;;;.
What are the key properties of [4-(4-ethenylcyclohexyl)cyclohexyl]benzene;(4-methylcyclohexyl)benzene;4-(4-methylcyclohexyl)cyclohexan-1-ol;1-methyl-4-phenylbenzene;4-(4-methylphenyl)phenol;pentakis(yttrium)?
[4-(4-ethenylcyclohexyl)cyclohexyl]benzene;(4-methylcyclohexyl)benzene;4-(4-methylcyclohexyl)cyclohexan-1-ol;1-methyl-4-phenylbenzene;4-(4-methylphenyl)phenol;pentakis(yttrium) has a molecular weight of 1433.05 g/mol, XLogP of 19.71, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-ethenylcyclohexyl)cyclohexyl]benzene;(4-methylcyclohexyl)benzene;4-(4-methylcyclohexyl)cyclohexan-1-ol;1-methyl-4-phenylbenzene;4-(4-methylphenyl)phenol;pentakis(yttrium) is sourced from PubChem (CID 159979273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).