hexakis(2-methylpropanoylazanide);tris(titanium(4+));hexachloride

C24H48Cl6N6O6Ti3 — CID 18949306

IUPAChexakis(2-methylpropanoylazanide);tris(titanium(4+));hexachloride
SMILESCC(C)C([NH-])=O.CC(C)C([NH-])=O.CC(C)C([NH-])=O.CC(C)C([NH-])=O.CC(C)C([NH-])=O.CC(C)C([NH-])=O.[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Ti+4].[Ti+4].[Ti+4]
InChIInChI=1S/6C4H9NO.6ClH.3Ti/c6*1-3(2)4(5)6;;;;;;;;;/h6*3H,1-2H3,(H2,5,6);6*1H;;;/q;;;;;;;;;;;;3*+4/p-12
InChIKeyWJRUSDLOCUHIMW-UHFFFAOYSA-B
MW873.00 g/mol
LogP-10.66
Rot. Bonds6

About hexakis(2-methylpropanoylazanide);tris(titanium(4+));hexachloride

hexakis(2-methylpropanoylazanide);tris(titanium(4+));hexachloride (PubChem CID 18949306) has the molecular formula C24H48Cl6N6O6Ti3 and a molecular weight of 873.00 g/mol. Its IUPAC name is hexakis(2-methylpropanoylazanide);tris(titanium(4+));hexachloride.

Molecular Properties

Compound Namehexakis(2-methylpropanoylazanide);tris(titanium(4+));hexachloride
PubChem CID18949306
Molecular FormulaC24H48Cl6N6O6Ti3
Molecular Weight873.00 g/mol
Exact Mass870.02
IUPAC Namehexakis(2-methylpropanoylazanide);tris(titanium(4+));hexachloride
SMILESCC(C)C([NH-])=O.CC(C)C([NH-])=O.CC(C)C([NH-])=O.CC(C)C([NH-])=O.CC(C)C([NH-])=O.CC(C)C([NH-])=O.[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Ti+4].[Ti+4].[Ti+4]
InChIInChI=1S/6C4H9NO.6ClH.3Ti/c6*1-3(2)4(5)6;;;;;;;;;/h6*3H,1-2H3,(H2,5,6);6*1H;;;/q;;;;;;;;;;;;3*+4/p-12
InChIKeyWJRUSDLOCUHIMW-UHFFFAOYSA-B
XLogP-10.66
TPSA245.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms45
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500873.00
LogP ≤ 5-10.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

bis(2-methylpropanoylazanide);titanium(3+);trichloride
CID 173341164
2-methylpropanoylazanide;propanoylazanide;yttrium
CID 87733008
formylazanide;2-methylpropanoylazanide;yttrium(3+)
CID 87732960
2-methylpropanoic acid
CID 173073412
propan-2-ol;titanium(4+);tetrachloride
CID 157071877
alumane;2-methylpropanoic acid
CID 173068323
cerium;tris(2-methylpropanoic acid)
CID 153360547
azane;2-methylpropanoic acid;hydrate
CID 161320294
methanol;2-methylpropanoic acid
CID 159214919
2-methylpropanoic acid;ruthenium
CID 88674751
CID 161404788
CID 161404788
lithium;hydride;bis(2-methylpropanoic acid)
CID 175577602

Frequently Asked Questions

What is the IUPAC name of hexakis(2-methylpropanoylazanide);tris(titanium(4+));hexachloride?
The IUPAC name of hexakis(2-methylpropanoylazanide);tris(titanium(4+));hexachloride (CID 18949306) is hexakis(2-methylpropanoylazanide);tris(titanium(4+));hexachloride.
What is the SMILES notation for hexakis(2-methylpropanoylazanide);tris(titanium(4+));hexachloride?
The canonical SMILES for hexakis(2-methylpropanoylazanide);tris(titanium(4+));hexachloride is CC(C)C([NH-])=O.CC(C)C([NH-])=O.CC(C)C([NH-])=O.CC(C)C([NH-])=O.CC(C)C([NH-])=O.CC(C)C([NH-])=O.[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Ti+4].[Ti+4].[Ti+4].
What is the InChIKey of hexakis(2-methylpropanoylazanide);tris(titanium(4+));hexachloride?
The InChIKey is WJRUSDLOCUHIMW-UHFFFAOYSA-B. The full InChI is InChI=1S/6C4H9NO.6ClH.3Ti/c6*1-3(2)4(5)6;;;;;;;;;/h6*3H,1-2H3,(H2,5,6);6*1H;;;/q;;;;;;;;;;;;3*+4/p-12.
What are the key properties of hexakis(2-methylpropanoylazanide);tris(titanium(4+));hexachloride?
hexakis(2-methylpropanoylazanide);tris(titanium(4+));hexachloride has a molecular weight of 873.00 g/mol, XLogP of -10.66, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for hexakis(2-methylpropanoylazanide);tris(titanium(4+));hexachloride is sourced from PubChem (CID 18949306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).