1-methoxyethenolate;tris(propan-2-olate);titanium(4+)

C12H26O5Ti — CID 100955524

IUPAC1-methoxyethenolate;tris(propan-2-olate);titanium(4+)
SMILESC=C([O-])OC.CC(C)[O-].CC(C)[O-].CC(C)[O-].[Ti+4]
InChIInChI=1S/C3H6O2.3C3H7O.Ti/c1-3(4)5-2;3*1-3(2)4;/h4H,1H2,2H3;3*3H,1-2H3;/q;3*-1;+4/p-1
InChIKeyXFTSXNWPVNORJV-UHFFFAOYSA-M
MW298.20 g/mol
LogP-1.27
Rot. Bonds1

About 1-methoxyethenolate;tris(propan-2-olate);titanium(4+)

1-methoxyethenolate;tris(propan-2-olate);titanium(4+) (PubChem CID 100955524) has the molecular formula C12H26O5Ti and a molecular weight of 298.20 g/mol. Its IUPAC name is 1-methoxyethenolate;tris(propan-2-olate);titanium(4+).

Molecular Properties

Compound Name1-methoxyethenolate;tris(propan-2-olate);titanium(4+)
PubChem CID100955524
Molecular FormulaC12H26O5Ti
Molecular Weight298.20 g/mol
Exact Mass298.13
IUPAC Name1-methoxyethenolate;tris(propan-2-olate);titanium(4+)
SMILESC=C([O-])OC.CC(C)[O-].CC(C)[O-].CC(C)[O-].[Ti+4]
InChIInChI=1S/C3H6O2.3C3H7O.Ti/c1-3(4)5-2;3*1-3(2)4;/h4H,1H2,2H3;3*3H,1-2H3;/q;3*-1;+4/p-1
InChIKeyXFTSXNWPVNORJV-UHFFFAOYSA-M
XLogP-1.27
TPSA101.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.20
LogP ≤ 5-1.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

sodium;pentakis(propan-2-olate);titanium(4+)
CID 15772239
propan-2-olate;titanium(4+);triiodide
CID 174248492
tetrakis(propan-2-ol);tetrakis(propan-2-olate);titanium;titanium(4+)
CID 173047605
manganese(3+);tris(propan-2-olate)
CID 91971223
hafnium;bis(propan-2-olate)
CID 157404523
erbium(3+);tris(propan-2-olate)
CID 2734042
pentakis(propan-2-olate);tungsten
CID 173344200
hafnium(4+);bis(propan-2-olate)
CID 22242333
bis(propan-2-olate);samarium
CID 162338231
molybdenum;hexakis(propan-2-olate)
CID 138991740
2-methoxy-3-methylbut-1-ene;molecular hydrogen
CID 159874902
3-methoxy-3-oxo(313C)prop-1-en-2-olate
CID 102061344

Frequently Asked Questions

What is the IUPAC name of 1-methoxyethenolate;tris(propan-2-olate);titanium(4+)?
The IUPAC name of 1-methoxyethenolate;tris(propan-2-olate);titanium(4+) (CID 100955524) is 1-methoxyethenolate;tris(propan-2-olate);titanium(4+).
What is the SMILES notation for 1-methoxyethenolate;tris(propan-2-olate);titanium(4+)?
The canonical SMILES for 1-methoxyethenolate;tris(propan-2-olate);titanium(4+) is C=C([O-])OC.CC(C)[O-].CC(C)[O-].CC(C)[O-].[Ti+4].
What is the InChIKey of 1-methoxyethenolate;tris(propan-2-olate);titanium(4+)?
The InChIKey is XFTSXNWPVNORJV-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H6O2.3C3H7O.Ti/c1-3(4)5-2;3*1-3(2)4;/h4H,1H2,2H3;3*3H,1-2H3;/q;3*-1;+4/p-1.
What are the key properties of 1-methoxyethenolate;tris(propan-2-olate);titanium(4+)?
1-methoxyethenolate;tris(propan-2-olate);titanium(4+) has a molecular weight of 298.20 g/mol, XLogP of -1.27, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxyethenolate;tris(propan-2-olate);titanium(4+) is sourced from PubChem (CID 100955524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).