chlorotitanium(3+);tris(propan-1-olate)

C9H21ClO3Ti — CID 13026523

IUPACchlorotitanium(3+);tris(propan-1-olate)
SMILESCCC[O-].CCC[O-].CCC[O-].Cl[Ti+3]
InChIInChI=1S/3C3H7O.ClH.Ti/c3*1-2-3-4;;/h3*2-3H2,1H3;1H;/q3*-1;;+4/p-1
InChIKeySYNNVJNCKZPCMB-UHFFFAOYSA-M
MW260.58 g/mol
LogP-0.04
Rot. Bonds3

About chlorotitanium(3+);tris(propan-1-olate)

chlorotitanium(3+);tris(propan-1-olate) (PubChem CID 13026523) has the molecular formula C9H21ClO3Ti and a molecular weight of 260.58 g/mol. Its IUPAC name is chlorotitanium(3+);tris(propan-1-olate).

Molecular Properties

Compound Namechlorotitanium(3+);tris(propan-1-olate)
PubChem CID13026523
Molecular FormulaC9H21ClO3Ti
Molecular Weight260.58 g/mol
Exact Mass260.07
IUPAC Namechlorotitanium(3+);tris(propan-1-olate)
SMILESCCC[O-].CCC[O-].CCC[O-].Cl[Ti+3]
InChIInChI=1S/3C3H7O.ClH.Ti/c3*1-2-3-4;;/h3*2-3H2,1H3;1H;/q3*-1;;+4/p-1
InChIKeySYNNVJNCKZPCMB-UHFFFAOYSA-M
XLogP-0.04
TPSA69.18 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.58
LogP ≤ 5-0.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 57375981
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methylazanium;propan-1-olate
CID 178027872
bismuth;propan-1-olate;dihydroxide
CID 76962001
magnesium;iron(2+);tetrakis(propan-1-olate)
CID 159973455
calcium;ethanolate;propan-1-olate
CID 156783227
hydride;propan-1-olate;zirconium(4+);chloride
CID 18688191
indium(3+);propan-1-ol;tris(propan-1-olate)
CID 172808017
butane;chlorotitanium(3+)
CID 24940344
propan-1-ol;bis(propan-1-olate);zirconium(4+);dinitrate;hydrate
CID 22492669

Frequently Asked Questions

What is the IUPAC name of chlorotitanium(3+);tris(propan-1-olate)?
The IUPAC name of chlorotitanium(3+);tris(propan-1-olate) (CID 13026523) is chlorotitanium(3+);tris(propan-1-olate).
What is the SMILES notation for chlorotitanium(3+);tris(propan-1-olate)?
The canonical SMILES for chlorotitanium(3+);tris(propan-1-olate) is CCC[O-].CCC[O-].CCC[O-].Cl[Ti+3].
What is the InChIKey of chlorotitanium(3+);tris(propan-1-olate)?
The InChIKey is SYNNVJNCKZPCMB-UHFFFAOYSA-M. The full InChI is InChI=1S/3C3H7O.ClH.Ti/c3*1-2-3-4;;/h3*2-3H2,1H3;1H;/q3*-1;;+4/p-1.
What are the key properties of chlorotitanium(3+);tris(propan-1-olate)?
chlorotitanium(3+);tris(propan-1-olate) has a molecular weight of 260.58 g/mol, XLogP of -0.04, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for chlorotitanium(3+);tris(propan-1-olate) is sourced from PubChem (CID 13026523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).