2-(cyclohexyliminomethyl)-4,6-dimethylphenol;2-(cyclopentyliminomethyl)-4,6-dimethylphenol;tetradecakis(dichlorozirconium);2,4-dimethyl-6-(3-methylbutyliminomethyl)phenol;decakis(2,4-dimethyl-6-(methyliminomethyl)phenol);2,4-dimethyl-6-(2-methylpropyliminomethyl)phenol

C156H210Cl28N14O14Zr14 — CID 157101200

IUPAC2-(cyclohexyliminomethyl)-4,6-dimethylphenol;2-(cyclopentyliminomethyl)-4,6-dimethylphenol;tetradecakis(dichlorozirconium);2,4-dimethyl-6-(3-methylbutyliminomethyl)phenol;decakis(2,4-dimethyl-6-(methyliminomethyl)phenol);2,4-dimethyl-6-(2-methylpropyliminomethyl)phenol
SMILESC/N=C/c1cc(C)cc(C)c1O.C/N=C/c1cc(C)cc(C)c1O.C/N=C/c1cc(C)cc(C)c1O.C/N=C/c1cc(C)cc(C)c1O.C/N=C/c1cc(C)cc(C)c1O.C/N=C/c1cc(C)cc(C)c1O.C/N=C/c1cc(C)cc(C)c1O.C/N=C/c1cc(C)cc(C)c1O.C/N=C/c1cc(C)cc(C)c1O.C/N=C/c1cc(C)cc(C)c1O.Cc1cc(C)c(O)c(/C=N/C2CCCC2)c1.Cc1cc(C)c(O)c(/C=N/C2CCCCC2)c1.Cc1cc(C)c(O)c(/C=N/CC(C)C)c1.Cc1cc(C)c(O)c(/C=N/CCC(C)C)c1.Cl[Zr]Cl.Cl[Zr]Cl.Cl[Zr]Cl.Cl[Zr]Cl.Cl[Zr]Cl.Cl[Zr]Cl.Cl[Zr]Cl.Cl[Zr]Cl.Cl[Zr]Cl.Cl[Zr]Cl.Cl[Zr]Cl.Cl[Zr]Cl.Cl[Zr]Cl.Cl[Zr]Cl
InChIInChI=1S/C15H21NO.C14H19NO.C14H21NO.C13H19NO.10C10H13NO.28ClH.14Zr/c1-11-8-12(2)15(17)13(9-11)10-16-14-6-4-3-5-7-14;1-10-7-11(2)14(16)12(8-10)9-15-13-5-3-4-6-13;1-10(2)5-6-15-9-13-8-11(3)7-12(4)14(13)16;1-9(2)7-14-8-12-6-10(3)5-11(4)13(12)15;10*1-7-4-8(2)10(12)9(5-7)6-11-3;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h8-10,14,17H,3-7H2,1-2H3;7-9,13,16H,3-6H2,1-2H3;7-10,16H,5-6H2,1-4H3;5-6,8-9,15H,7H2,1-4H3;10*4-6,12H,1-3H3;28*1H;;;;;;;;;;;;;;/q;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;14*+2/p-28/b16-10+;2*15-9+;14-8+;10*11-6+;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
InChIKeyHYFVMWUYMNQNSI-VZWABRTJSA-A
MW4775.30 g/mol
LogP53.54
Rot. Bonds21

About 2-(cyclohexyliminomethyl)-4,6-dimethylphenol;2-(cyclopentyliminomethyl)-4,6-dimethylphenol;tetradecakis(dichlorozirconium);2,4-dimethyl-6-(3-methylbutyliminomethyl)phenol;decakis(2,4-dimethyl-6-(methyliminomethyl)phenol);2,4-dimethyl-6-(2-methylpropyliminomethyl)phenol

2-(cyclohexyliminomethyl)-4,6-dimethylphenol;2-(cyclopentyliminomethyl)-4,6-dimethylphenol;tetradecakis(dichlorozirconium);2,4-dimethyl-6-(3-methylbutyliminomethyl)phenol;decakis(2,4-dimethyl-6-(methyliminomethyl)phenol);2,4-dimethyl-6-(2-methylpropyliminomethyl)phenol (PubChem CID 157101200) has the molecular formula C156H210Cl28N14O14Zr14 and a molecular weight of 4775.30 g/mol. Its IUPAC name is 2-(cyclohexyliminomethyl)-4,6-dimethylphenol;2-(cyclopentyliminomethyl)-4,6-dimethylphenol;tetradecakis(dichlorozirconium);2,4-dimethyl-6-(3-methylbutyliminomethyl)phenol;decakis(2,4-dimethyl-6-(methyliminomethyl)phenol);2,4-dimethyl-6-(2-methylpropyliminomethyl)phenol.

Molecular Properties

Compound Name2-(cyclohexyliminomethyl)-4,6-dimethylphenol;2-(cyclopentyliminomethyl)-4,6-dimethylphenol;tetradecakis(dichlorozirconium);2,4-dimethyl-6-(3-methylbutyliminomethyl)phenol;decakis(2,4-dimethyl-6-(methyliminomethyl)phenol);2,4-dimethyl-6-(2-methylpropyliminomethyl)phenol
PubChem CID157101200
Molecular FormulaC156H210Cl28N14O14Zr14
Molecular Weight4775.30 g/mol
Exact Mass4741.41
IUPAC Name2-(cyclohexyliminomethyl)-4,6-dimethylphenol;2-(cyclopentyliminomethyl)-4,6-dimethylphenol;tetradecakis(dichlorozirconium);2,4-dimethyl-6-(3-methylbutyliminomethyl)phenol;decakis(2,4-dimethyl-6-(methyliminomethyl)phenol);2,4-dimethyl-6-(2-methylpropyliminomethyl)phenol
SMILESC/N=C/c1cc(C)cc(C)c1O.C/N=C/c1cc(C)cc(C)c1O.C/N=C/c1cc(C)cc(C)c1O.C/N=C/c1cc(C)cc(C)c1O.C/N=C/c1cc(C)cc(C)c1O.C/N=C/c1cc(C)cc(C)c1O.C/N=C/c1cc(C)cc(C)c1O.C/N=C/c1cc(C)cc(C)c1O.C/N=C/c1cc(C)cc(C)c1O.C/N=C/c1cc(C)cc(C)c1O.Cc1cc(C)c(O)c(/C=N/C2CCCC2)c1.Cc1cc(C)c(O)c(/C=N/C2CCCCC2)c1.Cc1cc(C)c(O)c(/C=N/CC(C)C)c1.Cc1cc(C)c(O)c(/C=N/CCC(C)C)c1.Cl[Zr]Cl.Cl[Zr]Cl.Cl[Zr]Cl.Cl[Zr]Cl.Cl[Zr]Cl.Cl[Zr]Cl.Cl[Zr]Cl.Cl[Zr]Cl.Cl[Zr]Cl.Cl[Zr]Cl.Cl[Zr]Cl.Cl[Zr]Cl.Cl[Zr]Cl.Cl[Zr]Cl
InChIInChI=1S/C15H21NO.C14H19NO.C14H21NO.C13H19NO.10C10H13NO.28ClH.14Zr/c1-11-8-12(2)15(17)13(9-11)10-16-14-6-4-3-5-7-14;1-10-7-11(2)14(16)12(8-10)9-15-13-5-3-4-6-13;1-10(2)5-6-15-9-13-8-11(3)7-12(4)14(13)16;1-9(2)7-14-8-12-6-10(3)5-11(4)13(12)15;10*1-7-4-8(2)10(12)9(5-7)6-11-3;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h8-10,14,17H,3-7H2,1-2H3;7-9,13,16H,3-6H2,1-2H3;7-10,16H,5-6H2,1-4H3;5-6,8-9,15H,7H2,1-4H3;10*4-6,12H,1-3H3;28*1H;;;;;;;;;;;;;;/q;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;14*+2/p-28/b16-10+;2*15-9+;14-8+;10*11-6+;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
InChIKeyHYFVMWUYMNQNSI-VZWABRTJSA-A
XLogP53.54
TPSA456.26 Ų
H-Bond Donors14
H-Bond Acceptors28
Rotatable Bonds21
Heavy Atoms226
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004775.30
LogP ≤ 553.54
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 2-(cyclohexyliminomethyl)-4,6-dimethylphenol;2-(cyclopentyliminomethyl)-4,6-dimethylphenol;tetradecakis(dichlorozirconium);2,4-dimethyl-6-(3-methylbutyliminomethyl)phenol;decakis(2,4-dimethyl-6-(methyliminomethyl)phenol);2,4-dimethyl-6-(2-methylpropyliminomethyl)phenol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexyliminomethyl)-4,6-dimethylphenol;2-(cyclopentyliminomethyl)-4,6-dimethylphenol;tetradecakis(dichlorozirconium);2,4-dimethyl-6-(3-methylbutyliminomethyl)phenol;decakis(2,4-dimethyl-6-(methyliminomethyl)phenol);2,4-dimethyl-6-(2-methylpropyliminomethyl)phenol?
The IUPAC name of 2-(cyclohexyliminomethyl)-4,6-dimethylphenol;2-(cyclopentyliminomethyl)-4,6-dimethylphenol;tetradecakis(dichlorozirconium);2,4-dimethyl-6-(3-methylbutyliminomethyl)phenol;decakis(2,4-dimethyl-6-(methyliminomethyl)phenol);2,4-dimethyl-6-(2-methylpropyliminomethyl)phenol (CID 157101200) is 2-(cyclohexyliminomethyl)-4,6-dimethylphenol;2-(cyclopentyliminomethyl)-4,6-dimethylphenol;tetradecakis(dichlorozirconium);2,4-dimethyl-6-(3-methylbutyliminomethyl)phenol;decakis(2,4-dimethyl-6-(methyliminomethyl)phenol);2,4-dimethyl-6-(2-methylpropyliminomethyl)phenol.
What is the SMILES notation for 2-(cyclohexyliminomethyl)-4,6-dimethylphenol;2-(cyclopentyliminomethyl)-4,6-dimethylphenol;tetradecakis(dichlorozirconium);2,4-dimethyl-6-(3-methylbutyliminomethyl)phenol;decakis(2,4-dimethyl-6-(methyliminomethyl)phenol);2,4-dimethyl-6-(2-methylpropyliminomethyl)phenol?
The canonical SMILES for 2-(cyclohexyliminomethyl)-4,6-dimethylphenol;2-(cyclopentyliminomethyl)-4,6-dimethylphenol;tetradecakis(dichlorozirconium);2,4-dimethyl-6-(3-methylbutyliminomethyl)phenol;decakis(2,4-dimethyl-6-(methyliminomethyl)phenol);2,4-dimethyl-6-(2-methylpropyliminomethyl)phenol is C/N=C/c1cc(C)cc(C)c1O.C/N=C/c1cc(C)cc(C)c1O.C/N=C/c1cc(C)cc(C)c1O.C/N=C/c1cc(C)cc(C)c1O.C/N=C/c1cc(C)cc(C)c1O.C/N=C/c1cc(C)cc(C)c1O.C/N=C/c1cc(C)cc(C)c1O.C/N=C/c1cc(C)cc(C)c1O.C/N=C/c1cc(C)cc(C)c1O.C/N=C/c1cc(C)cc(C)c1O.Cc1cc(C)c(O)c(/C=N/C2CCCC2)c1.Cc1cc(C)c(O)c(/C=N/C2CCCCC2)c1.Cc1cc(C)c(O)c(/C=N/CC(C)C)c1.Cc1cc(C)c(O)c(/C=N/CCC(C)C)c1.Cl[Zr]Cl.Cl[Zr]Cl.Cl[Zr]Cl.Cl[Zr]Cl.Cl[Zr]Cl.Cl[Zr]Cl.Cl[Zr]Cl.Cl[Zr]Cl.Cl[Zr]Cl.Cl[Zr]Cl.Cl[Zr]Cl.Cl[Zr]Cl.Cl[Zr]Cl.Cl[Zr]Cl.
What is the InChIKey of 2-(cyclohexyliminomethyl)-4,6-dimethylphenol;2-(cyclopentyliminomethyl)-4,6-dimethylphenol;tetradecakis(dichlorozirconium);2,4-dimethyl-6-(3-methylbutyliminomethyl)phenol;decakis(2,4-dimethyl-6-(methyliminomethyl)phenol);2,4-dimethyl-6-(2-methylpropyliminomethyl)phenol?
The InChIKey is HYFVMWUYMNQNSI-VZWABRTJSA-A. The full InChI is InChI=1S/C15H21NO.C14H19NO.C14H21NO.C13H19NO.10C10H13NO.28ClH.14Zr/c1-11-8-12(2)15(17)13(9-11)10-16-14-6-4-3-5-7-14;1-10-7-11(2)14(16)12(8-10)9-15-13-5-3-4-6-13;1-10(2)5-6-15-9-13-8-11(3)7-12(4)14(13)16;1-9(2)7-14-8-12-6-10(3)5-11(4)13(12)15;10*1-7-4-8(2)10(12)9(5-7)6-11-3;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h8-10,14,17H,3-7H2,1-2H3;7-9,13,16H,3-6H2,1-2H3;7-10,16H,5-6H2,1-4H3;5-6,8-9,15H,7H2,1-4H3;10*4-6,12H,1-3H3;28*1H;;;;;;;;;;;;;;/q;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;14*+2/p-28/b16-10+;2*15-9+;14-8+;10*11-6+;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;.
What are the key properties of 2-(cyclohexyliminomethyl)-4,6-dimethylphenol;2-(cyclopentyliminomethyl)-4,6-dimethylphenol;tetradecakis(dichlorozirconium);2,4-dimethyl-6-(3-methylbutyliminomethyl)phenol;decakis(2,4-dimethyl-6-(methyliminomethyl)phenol);2,4-dimethyl-6-(2-methylpropyliminomethyl)phenol?
2-(cyclohexyliminomethyl)-4,6-dimethylphenol;2-(cyclopentyliminomethyl)-4,6-dimethylphenol;tetradecakis(dichlorozirconium);2,4-dimethyl-6-(3-methylbutyliminomethyl)phenol;decakis(2,4-dimethyl-6-(methyliminomethyl)phenol);2,4-dimethyl-6-(2-methylpropyliminomethyl)phenol has a molecular weight of 4775.30 g/mol, XLogP of 53.54, 21 rotatable bonds, 14 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexyliminomethyl)-4,6-dimethylphenol;2-(cyclopentyliminomethyl)-4,6-dimethylphenol;tetradecakis(dichlorozirconium);2,4-dimethyl-6-(3-methylbutyliminomethyl)phenol;decakis(2,4-dimethyl-6-(methyliminomethyl)phenol);2,4-dimethyl-6-(2-methylpropyliminomethyl)phenol is sourced from PubChem (CID 157101200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).