decan-1-ol;tris(dihexylazanide);titanium(3+)

C46H100N3OTi — CID 21463949

IUPACdecan-1-ol;tris(dihexylazanide);titanium(3+)
SMILESCCCCCCCCCCO.CCCCCC[N-]CCCCCC.CCCCCC[N-]CCCCCC.CCCCCC[N-]CCCCCC.[Ti+3]
InChIInChI=1S/3C12H26N.C10H22O.Ti/c3*1-3-5-7-9-11-13-12-10-8-6-4-2;1-2-3-4-5-6-7-8-9-10-11;/h3*3-12H2,1-2H3;11H,2-10H2,1H3;/q3*-1;;+3
InChIKeyZIJMJGLFAZSTRS-UHFFFAOYSA-N
MW759.19 g/mol
LogP16.68
Rot. Bonds38

About decan-1-ol;tris(dihexylazanide);titanium(3+)

decan-1-ol;tris(dihexylazanide);titanium(3+) (PubChem CID 21463949) has the molecular formula C46H100N3OTi and a molecular weight of 759.19 g/mol. Its IUPAC name is decan-1-ol;tris(dihexylazanide);titanium(3+).

Molecular Properties

Compound Namedecan-1-ol;tris(dihexylazanide);titanium(3+)
PubChem CID21463949
Molecular FormulaC46H100N3OTi
Molecular Weight759.19 g/mol
Exact Mass758.73
IUPAC Namedecan-1-ol;tris(dihexylazanide);titanium(3+)
SMILESCCCCCCCCCCO.CCCCCC[N-]CCCCCC.CCCCCC[N-]CCCCCC.CCCCCC[N-]CCCCCC.[Ti+3]
InChIInChI=1S/3C12H26N.C10H22O.Ti/c3*1-3-5-7-9-11-13-12-10-8-6-4-2;1-2-3-4-5-6-7-8-9-10-11;/h3*3-12H2,1-2H3;11H,2-10H2,1H3;/q3*-1;;+3
InChIKeyZIJMJGLFAZSTRS-UHFFFAOYSA-N
XLogP16.68
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds38
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500759.19
LogP ≤ 516.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

10-(Dibutylamino)decan-1-ol
CID 220009
12-(Diethylamino)dodecan-1-ol
CID 22218520
n,n-Dibutylundecanolamine
CID 87317390
11-(Dihexylamino)undecan-1-ol
CID 219366
1-(13-Hydroxytridecyl)-1-methylpyrrolidinium
CID 4318347
11-(Dibutylamino)undecan-1-ol
CID 258653
Ethyl-(16-hydroxyhexadecyl)-dimethylazanium
CID 91122577
Hydroxy ethyl methyl hexadecyl amine
CID 129801315
22-hydroxydocos-1-yl-N,N,N-trimethylammonium bromide
CID 129852057
11-hydroxy-N,N,N-trioctylundecan-1-aminium bromide
CID 138374130
Ethyl-[3-[4-[ethyl(dimethyl)azaniumyl]butyl-(2-hydroxyhexadecyl)-methylazaniumyl]propyl]-dimethylazanium
CID 175947
1-(11-Hydroxyundecyl)-1-methylpiperidin-1-ium
CID 4546867

Frequently Asked Questions

What is the IUPAC name of decan-1-ol;tris(dihexylazanide);titanium(3+)?
The IUPAC name of decan-1-ol;tris(dihexylazanide);titanium(3+) (CID 21463949) is decan-1-ol;tris(dihexylazanide);titanium(3+).
What is the SMILES notation for decan-1-ol;tris(dihexylazanide);titanium(3+)?
The canonical SMILES for decan-1-ol;tris(dihexylazanide);titanium(3+) is CCCCCCCCCCO.CCCCCC[N-]CCCCCC.CCCCCC[N-]CCCCCC.CCCCCC[N-]CCCCCC.[Ti+3].
What is the InChIKey of decan-1-ol;tris(dihexylazanide);titanium(3+)?
The InChIKey is ZIJMJGLFAZSTRS-UHFFFAOYSA-N. The full InChI is InChI=1S/3C12H26N.C10H22O.Ti/c3*1-3-5-7-9-11-13-12-10-8-6-4-2;1-2-3-4-5-6-7-8-9-10-11;/h3*3-12H2,1-2H3;11H,2-10H2,1H3;/q3*-1;;+3.
What are the key properties of decan-1-ol;tris(dihexylazanide);titanium(3+)?
decan-1-ol;tris(dihexylazanide);titanium(3+) has a molecular weight of 759.19 g/mol, XLogP of 16.68, 38 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for decan-1-ol;tris(dihexylazanide);titanium(3+) is sourced from PubChem (CID 21463949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).