carbanide;2-(hydroxymethyl)-2-methylpropane-1,3-diol;methanol;titanium;titanium(3+)

C14H43O7Ti3-2 — CID 20682178

IUPACcarbanide;2-(hydroxymethyl)-2-methylpropane-1,3-diol;methanol;titanium;titanium(3+)
SMILESCC(CO)(CO)CO.CO.CO.CO.CO.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Ti+3].[Ti].[Ti]
InChIInChI=1S/C5H12O3.4CH4O.5CH3.3Ti/c1-5(2-6,3-7)4-8;4*1-2;;;;;;;;/h6-8H,2-4H2,1H3;4*2H,1H3;5*1H3;;;/q;;;;;5*-1;;;+3
InChIKeyZTNAKOVUYKVBGK-UHFFFAOYSA-N
MW467.09 g/mol
LogP-0.35
Rot. Bonds3

About carbanide;2-(hydroxymethyl)-2-methylpropane-1,3-diol;methanol;titanium;titanium(3+)

carbanide;2-(hydroxymethyl)-2-methylpropane-1,3-diol;methanol;titanium;titanium(3+) (PubChem CID 20682178) has the molecular formula C14H43O7Ti3-2 and a molecular weight of 467.09 g/mol. Its IUPAC name is carbanide;2-(hydroxymethyl)-2-methylpropane-1,3-diol;methanol;titanium;titanium(3+).

Molecular Properties

Compound Namecarbanide;2-(hydroxymethyl)-2-methylpropane-1,3-diol;methanol;titanium;titanium(3+)
PubChem CID20682178
Molecular FormulaC14H43O7Ti3-2
Molecular Weight467.09 g/mol
Exact Mass467.15
IUPAC Namecarbanide;2-(hydroxymethyl)-2-methylpropane-1,3-diol;methanol;titanium;titanium(3+)
SMILESCC(CO)(CO)CO.CO.CO.CO.CO.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Ti+3].[Ti].[Ti]
InChIInChI=1S/C5H12O3.4CH4O.5CH3.3Ti/c1-5(2-6,3-7)4-8;4*1-2;;;;;;;;/h6-8H,2-4H2,1H3;4*2H,1H3;5*1H3;;;/q;;;;;5*-1;;;+3
InChIKeyZTNAKOVUYKVBGK-UHFFFAOYSA-N
XLogP-0.35
TPSA141.61 Ų
H-Bond Donors7
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.09
LogP ≤ 5-0.35
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze carbanide;2-(hydroxymethyl)-2-methylpropane-1,3-diol;methanol;titanium;titanium(3+) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of carbanide;2-(hydroxymethyl)-2-methylpropane-1,3-diol;methanol;titanium;titanium(3+)?
The IUPAC name of carbanide;2-(hydroxymethyl)-2-methylpropane-1,3-diol;methanol;titanium;titanium(3+) (CID 20682178) is carbanide;2-(hydroxymethyl)-2-methylpropane-1,3-diol;methanol;titanium;titanium(3+).
What is the SMILES notation for carbanide;2-(hydroxymethyl)-2-methylpropane-1,3-diol;methanol;titanium;titanium(3+)?
The canonical SMILES for carbanide;2-(hydroxymethyl)-2-methylpropane-1,3-diol;methanol;titanium;titanium(3+) is CC(CO)(CO)CO.CO.CO.CO.CO.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Ti+3].[Ti].[Ti].
What is the InChIKey of carbanide;2-(hydroxymethyl)-2-methylpropane-1,3-diol;methanol;titanium;titanium(3+)?
The InChIKey is ZTNAKOVUYKVBGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12O3.4CH4O.5CH3.3Ti/c1-5(2-6,3-7)4-8;4*1-2;;;;;;;;/h6-8H,2-4H2,1H3;4*2H,1H3;5*1H3;;;/q;;;;;5*-1;;;+3.
What are the key properties of carbanide;2-(hydroxymethyl)-2-methylpropane-1,3-diol;methanol;titanium;titanium(3+)?
carbanide;2-(hydroxymethyl)-2-methylpropane-1,3-diol;methanol;titanium;titanium(3+) has a molecular weight of 467.09 g/mol, XLogP of -0.35, 3 rotatable bonds, 7 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;2-(hydroxymethyl)-2-methylpropane-1,3-diol;methanol;titanium;titanium(3+) is sourced from PubChem (CID 20682178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).