2-tert-butyl-6-(cyclohexyliminomethyl)phenol;dichlorotitanium

C17H25Cl2NOTi — CID 175086437

IUPAC2-tert-butyl-6-(cyclohexyliminomethyl)phenol;dichlorotitanium
SMILESCC(C)(C)c1cccc(/C=N/C2CCCCC2)c1O.Cl[Ti]Cl
InChIInChI=1S/C17H25NO.2ClH.Ti/c1-17(2,3)15-11-7-8-13(16(15)19)12-18-14-9-5-4-6-10-14;;;/h7-8,11-12,14,19H,4-6,9-10H2,1-3H3;2*1H;/q;;;+2/p-2/b18-12+;;;
InChIKeyGUOJUJIRNMQFTO-KMDBKMSFSA-L
MW378.17 g/mol
LogP5.82
Rot. Bonds2

About 2-tert-butyl-6-(cyclohexyliminomethyl)phenol;dichlorotitanium

2-tert-butyl-6-(cyclohexyliminomethyl)phenol;dichlorotitanium (PubChem CID 175086437) has the molecular formula C17H25Cl2NOTi and a molecular weight of 378.17 g/mol. Its IUPAC name is 2-tert-butyl-6-(cyclohexyliminomethyl)phenol;dichlorotitanium.

Molecular Properties

Compound Name2-tert-butyl-6-(cyclohexyliminomethyl)phenol;dichlorotitanium
PubChem CID175086437
Molecular FormulaC17H25Cl2NOTi
Molecular Weight378.17 g/mol
Exact Mass377.08
IUPAC Name2-tert-butyl-6-(cyclohexyliminomethyl)phenol;dichlorotitanium
SMILESCC(C)(C)c1cccc(/C=N/C2CCCCC2)c1O.Cl[Ti]Cl
InChIInChI=1S/C17H25NO.2ClH.Ti/c1-17(2,3)15-11-7-8-13(16(15)19)12-18-14-9-5-4-6-10-14;;;/h7-8,11-12,14,19H,4-6,9-10H2,1-3H3;2*1H;/q;;;+2/p-2/b18-12+;;;
InChIKeyGUOJUJIRNMQFTO-KMDBKMSFSA-L
XLogP5.82
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.17
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

bis(2-tert-butyl-6-(cyclohexyliminomethyl)phenol);dichlorozirconium
CID 139252629
bis(2-tert-butyl-6-(cyclopropyliminomethyl)phenol);dichlorozirconium
CID 139252627
2-tert-butyl-6-[(2,6-dicyclohexylphenyl)iminomethyl]phenol
CID 137225880
2-tert-butyl-6-[6-[(3-tert-butyl-2-hydroxyphenyl)methylideneamino]hexyliminomethyl]phenol;dichlorotitanium
CID 135979954
2-tert-butyl-6-(naphthalen-1-yliminomethyl)phenol;dichlorotitanium
CID 175087881
2,4-ditert-butyl-6-[[(1R,2R)-2-[[2-hydroxy-3-(trifluoromethyl)phenyl]methylideneamino]cyclohexyl]iminomethyl]phenol
CID 136870308
2-(1-adamantyliminomethyl)-6-tert-butylphenol
CID 136773230
bis(2-tert-butyl-6-[(2-chlorophenyl)iminomethyl]phenol);bis(2-tert-butyl-6-(methyliminomethyl)phenol);bis(dichlorotitanium);bis(dichlorozirconium)
CID 160877005
cobalt(2+);bis(2-(cyclohexyliminomethyl)-6-methoxyphenolate)
CID 139206912
bis(2-tert-butyl-6-(phenyliminomethyl)phenol);carbanide;hafnium
CID 139242538
2-tert-butyl-6-[[2-[2-[(3-tert-butyl-2-hydroxyphenyl)methylideneamino]phenyl]phenyl]iminomethyl]phenol
CID 140501402
2-tert-butyl-6-[[dimethyl(phenyl)silyl]iminomethyl]phenol;dichlorozirconium
CID 137095840

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-(cyclohexyliminomethyl)phenol;dichlorotitanium?
The IUPAC name of 2-tert-butyl-6-(cyclohexyliminomethyl)phenol;dichlorotitanium (CID 175086437) is 2-tert-butyl-6-(cyclohexyliminomethyl)phenol;dichlorotitanium.
What is the SMILES notation for 2-tert-butyl-6-(cyclohexyliminomethyl)phenol;dichlorotitanium?
The canonical SMILES for 2-tert-butyl-6-(cyclohexyliminomethyl)phenol;dichlorotitanium is CC(C)(C)c1cccc(/C=N/C2CCCCC2)c1O.Cl[Ti]Cl.
What is the InChIKey of 2-tert-butyl-6-(cyclohexyliminomethyl)phenol;dichlorotitanium?
The InChIKey is GUOJUJIRNMQFTO-KMDBKMSFSA-L. The full InChI is InChI=1S/C17H25NO.2ClH.Ti/c1-17(2,3)15-11-7-8-13(16(15)19)12-18-14-9-5-4-6-10-14;;;/h7-8,11-12,14,19H,4-6,9-10H2,1-3H3;2*1H;/q;;;+2/p-2/b18-12+;;;.
What are the key properties of 2-tert-butyl-6-(cyclohexyliminomethyl)phenol;dichlorotitanium?
2-tert-butyl-6-(cyclohexyliminomethyl)phenol;dichlorotitanium has a molecular weight of 378.17 g/mol, XLogP of 5.82, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-(cyclohexyliminomethyl)phenol;dichlorotitanium is sourced from PubChem (CID 175086437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).