bis(didecylazanide);titanium(4+);dichloride

C40H84Cl2N2Ti — CID 162188453

IUPACbis(didecylazanide);titanium(4+);dichloride
SMILESCCCCCCCCCC[N-]CCCCCCCCCC.CCCCCCCCCC[N-]CCCCCCCCCC.[Cl-].[Cl-].[Ti+4]
InChIInChI=1S/2C20H42N.2ClH.Ti/c2*1-3-5-7-9-11-13-15-17-19-21-20-18-16-14-12-10-8-6-4-2;;;/h2*3-20H2,1-2H3;2*1H;/q2*-1;;;+4/p-2
InChIKeyZPYZAUXTPLQXGP-UHFFFAOYSA-L
MW711.90 g/mol
LogP9.29
Rot. Bonds36

About bis(didecylazanide);titanium(4+);dichloride

bis(didecylazanide);titanium(4+);dichloride (PubChem CID 162188453) has the molecular formula C40H84Cl2N2Ti and a molecular weight of 711.90 g/mol. Its IUPAC name is bis(didecylazanide);titanium(4+);dichloride.

Molecular Properties

Compound Namebis(didecylazanide);titanium(4+);dichloride
PubChem CID162188453
Molecular FormulaC40H84Cl2N2Ti
Molecular Weight711.90 g/mol
Exact Mass710.55
IUPAC Namebis(didecylazanide);titanium(4+);dichloride
SMILESCCCCCCCCCC[N-]CCCCCCCCCC.CCCCCCCCCC[N-]CCCCCCCCCC.[Cl-].[Cl-].[Ti+4]
InChIInChI=1S/2C20H42N.2ClH.Ti/c2*1-3-5-7-9-11-13-15-17-19-21-20-18-16-14-12-10-8-6-4-2;;;/h2*3-20H2,1-2H3;2*1H;/q2*-1;;;+4/p-2
InChIKeyZPYZAUXTPLQXGP-UHFFFAOYSA-L
XLogP9.29
TPSA28.20 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds36
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500711.90
LogP ≤ 59.29
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

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bis(dioctylazanide);neodymium;hydrochloride
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chlorotitanium(1+);dioctylazanide
CID 174285151
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CID 161226545
undecane chloride
CID 19736895
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CID 172810874
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Frequently Asked Questions

What is the IUPAC name of bis(didecylazanide);titanium(4+);dichloride?
The IUPAC name of bis(didecylazanide);titanium(4+);dichloride (CID 162188453) is bis(didecylazanide);titanium(4+);dichloride.
What is the SMILES notation for bis(didecylazanide);titanium(4+);dichloride?
The canonical SMILES for bis(didecylazanide);titanium(4+);dichloride is CCCCCCCCCC[N-]CCCCCCCCCC.CCCCCCCCCC[N-]CCCCCCCCCC.[Cl-].[Cl-].[Ti+4].
What is the InChIKey of bis(didecylazanide);titanium(4+);dichloride?
The InChIKey is ZPYZAUXTPLQXGP-UHFFFAOYSA-L. The full InChI is InChI=1S/2C20H42N.2ClH.Ti/c2*1-3-5-7-9-11-13-15-17-19-21-20-18-16-14-12-10-8-6-4-2;;;/h2*3-20H2,1-2H3;2*1H;/q2*-1;;;+4/p-2.
What are the key properties of bis(didecylazanide);titanium(4+);dichloride?
bis(didecylazanide);titanium(4+);dichloride has a molecular weight of 711.90 g/mol, XLogP of 9.29, 36 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(didecylazanide);titanium(4+);dichloride is sourced from PubChem (CID 162188453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).