chlorotitanium(3+);tris(propan-2-olate)

C9H21ClO3Ti — CID 11673339

IUPACchlorotitanium(3+);tris(propan-2-olate)
SMILESCC(C)[O-].CC(C)[O-].CC(C)[O-].Cl[Ti+3]
InChIInChI=1S/3C3H7O.ClH.Ti/c3*1-3(2)4;;/h3*3H,1-2H3;1H;/q3*-1;;+4/p-1
InChIKeyIFMWVBVPVXRZHE-UHFFFAOYSA-M
MW260.58 g/mol
LogP-0.05
Rot. Bonds

About chlorotitanium(3+);tris(propan-2-olate)

chlorotitanium(3+);tris(propan-2-olate) (PubChem CID 11673339) has the molecular formula C9H21ClO3Ti and a molecular weight of 260.58 g/mol. Its IUPAC name is chlorotitanium(3+);tris(propan-2-olate).

Molecular Properties

Compound Namechlorotitanium(3+);tris(propan-2-olate)
PubChem CID11673339
Molecular FormulaC9H21ClO3Ti
Molecular Weight260.58 g/mol
Exact Mass260.07
IUPAC Namechlorotitanium(3+);tris(propan-2-olate)
SMILESCC(C)[O-].CC(C)[O-].CC(C)[O-].Cl[Ti+3]
InChIInChI=1S/3C3H7O.ClH.Ti/c3*1-3(2)4;;/h3*3H,1-2H3;1H;/q3*-1;;+4/p-1
InChIKeyIFMWVBVPVXRZHE-UHFFFAOYSA-M
XLogP-0.05
TPSA69.18 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.58
LogP ≤ 5-0.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of chlorotitanium(3+);tris(propan-2-olate)?
The IUPAC name of chlorotitanium(3+);tris(propan-2-olate) (CID 11673339) is chlorotitanium(3+);tris(propan-2-olate).
What is the SMILES notation for chlorotitanium(3+);tris(propan-2-olate)?
The canonical SMILES for chlorotitanium(3+);tris(propan-2-olate) is CC(C)[O-].CC(C)[O-].CC(C)[O-].Cl[Ti+3].
What is the InChIKey of chlorotitanium(3+);tris(propan-2-olate)?
The InChIKey is IFMWVBVPVXRZHE-UHFFFAOYSA-M. The full InChI is InChI=1S/3C3H7O.ClH.Ti/c3*1-3(2)4;;/h3*3H,1-2H3;1H;/q3*-1;;+4/p-1.
What are the key properties of chlorotitanium(3+);tris(propan-2-olate)?
chlorotitanium(3+);tris(propan-2-olate) has a molecular weight of 260.58 g/mol, XLogP of -0.05, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for chlorotitanium(3+);tris(propan-2-olate) is sourced from PubChem (CID 11673339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).