4-methyl-1H-inden-1-ide;tris(propan-2-olate);titanium(4+)

C19H30O3Ti — CID 19696964

IUPAC4-methyl-1H-inden-1-ide;tris(propan-2-olate);titanium(4+)
SMILESCC(C)[O-].CC(C)[O-].CC(C)[O-].Cc1cccc2[cH-]ccc12.[Ti+4]
InChIInChI=1S/C10H9.3C3H7O.Ti/c1-8-4-2-5-9-6-3-7-10(8)9;3*1-3(2)4;/h2-7H,1H3;3*3H,1-2H3;/q4*-1;+4
InChIKeyDRIWPISYRMYPMG-UHFFFAOYSA-N
MW354.31 g/mol
LogP2.13
Rot. Bonds

About 4-methyl-1H-inden-1-ide;tris(propan-2-olate);titanium(4+)

4-methyl-1H-inden-1-ide;tris(propan-2-olate);titanium(4+) (PubChem CID 19696964) has the molecular formula C19H30O3Ti and a molecular weight of 354.31 g/mol. Its IUPAC name is 4-methyl-1H-inden-1-ide;tris(propan-2-olate);titanium(4+).

Molecular Properties

Compound Name4-methyl-1H-inden-1-ide;tris(propan-2-olate);titanium(4+)
PubChem CID19696964
Molecular FormulaC19H30O3Ti
Molecular Weight354.31 g/mol
Exact Mass354.17
IUPAC Name4-methyl-1H-inden-1-ide;tris(propan-2-olate);titanium(4+)
SMILESCC(C)[O-].CC(C)[O-].CC(C)[O-].Cc1cccc2[cH-]ccc12.[Ti+4]
InChIInChI=1S/C10H9.3C3H7O.Ti/c1-8-4-2-5-9-6-3-7-10(8)9;3*1-3(2)4;/h2-7H,1H3;3*3H,1-2H3;/q4*-1;+4
InChIKeyDRIWPISYRMYPMG-UHFFFAOYSA-N
XLogP2.13
TPSA69.18 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.31
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1H-inden-1-ide;tris(propan-2-olate);titanium(4+)?
The IUPAC name of 4-methyl-1H-inden-1-ide;tris(propan-2-olate);titanium(4+) (CID 19696964) is 4-methyl-1H-inden-1-ide;tris(propan-2-olate);titanium(4+).
What is the SMILES notation for 4-methyl-1H-inden-1-ide;tris(propan-2-olate);titanium(4+)?
The canonical SMILES for 4-methyl-1H-inden-1-ide;tris(propan-2-olate);titanium(4+) is CC(C)[O-].CC(C)[O-].CC(C)[O-].Cc1cccc2[cH-]ccc12.[Ti+4].
What is the InChIKey of 4-methyl-1H-inden-1-ide;tris(propan-2-olate);titanium(4+)?
The InChIKey is DRIWPISYRMYPMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9.3C3H7O.Ti/c1-8-4-2-5-9-6-3-7-10(8)9;3*1-3(2)4;/h2-7H,1H3;3*3H,1-2H3;/q4*-1;+4.
What are the key properties of 4-methyl-1H-inden-1-ide;tris(propan-2-olate);titanium(4+)?
4-methyl-1H-inden-1-ide;tris(propan-2-olate);titanium(4+) has a molecular weight of 354.31 g/mol, XLogP of 2.13, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1H-inden-1-ide;tris(propan-2-olate);titanium(4+) is sourced from PubChem (CID 19696964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).