chlorotitanium(1+);dioctylazanide

C16H34ClNTi — CID 174285151

IUPACchlorotitanium(1+);dioctylazanide
SMILESCCCCCCCC[N-]CCCCCCCC.Cl[Ti+]
InChIInChI=1S/C16H34N.ClH.Ti/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2;;/h3-16H2,1-2H3;1H;/q-1;;+2/p-1
InChIKeyRTQLCIMMHDRGKN-UHFFFAOYSA-M
MW323.78 g/mol
LogP6.77
Rot. Bonds14

About chlorotitanium(1+);dioctylazanide

chlorotitanium(1+);dioctylazanide (PubChem CID 174285151) has the molecular formula C16H34ClNTi and a molecular weight of 323.78 g/mol. Its IUPAC name is chlorotitanium(1+);dioctylazanide.

Molecular Properties

Compound Namechlorotitanium(1+);dioctylazanide
PubChem CID174285151
Molecular FormulaC16H34ClNTi
Molecular Weight323.78 g/mol
Exact Mass323.19
IUPAC Namechlorotitanium(1+);dioctylazanide
SMILESCCCCCCCC[N-]CCCCCCCC.Cl[Ti+]
InChIInChI=1S/C16H34N.ClH.Ti/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2;;/h3-16H2,1-2H3;1H;/q-1;;+2/p-1
InChIKeyRTQLCIMMHDRGKN-UHFFFAOYSA-M
XLogP6.77
TPSA14.10 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.78
LogP ≤ 56.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

tetrakis(didecylazanide);ruthenium(4+)
CID 172817339
sodium dioctylazanide
CID 87162823
bis(didecylazanide);titanium(4+);dichloride
CID 162188453
bis(dihexylazanide);neodymium;hydrochloride
CID 87163649
bis(dioctylazanide);neodymium;hydrochloride
CID 87163726
bis(dihexylazanide);neodymium(3+);bromide
CID 172683698
tris(dioctylazanide);methanol;titanium(3+)
CID 21464044
cesium dibutylazanide
CID 161226545
bis(dibutylazanide);dichlorotitanium
CID 87309711
aluminum;lithium;bis(dibutylazanide);hydride
CID 19967643
heptahectane
CID 123338944
dopentacontahectane
CID 23391374

Frequently Asked Questions

What is the IUPAC name of chlorotitanium(1+);dioctylazanide?
The IUPAC name of chlorotitanium(1+);dioctylazanide (CID 174285151) is chlorotitanium(1+);dioctylazanide.
What is the SMILES notation for chlorotitanium(1+);dioctylazanide?
The canonical SMILES for chlorotitanium(1+);dioctylazanide is CCCCCCCC[N-]CCCCCCCC.Cl[Ti+].
What is the InChIKey of chlorotitanium(1+);dioctylazanide?
The InChIKey is RTQLCIMMHDRGKN-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H34N.ClH.Ti/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2;;/h3-16H2,1-2H3;1H;/q-1;;+2/p-1.
What are the key properties of chlorotitanium(1+);dioctylazanide?
chlorotitanium(1+);dioctylazanide has a molecular weight of 323.78 g/mol, XLogP of 6.77, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chlorotitanium(1+);dioctylazanide is sourced from PubChem (CID 174285151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).