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'}

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Related Compounds

Poly[oxy(methyl-1,2-ethanediyl)], alpha,alpha'-(2,2-dimethyl-1,3-propanediyl)bis[omega-hydroxy-
CID 44144919
3-Methoxy-2,2-bis(methoxymethyl)-1-propanol
CID 542386
Titanium n-propoxide
CID 4379755
1,3-Propanediol, 2,2'-[oxybis(methylene)]bis[2-methyl-
CID 10130709
Tetraisobutyl Orthotitanate (contains Isopropoxide)
CID 11067768
Pentaerythritol dimethyl ether
CID 15570862
Trimethylolethane hydrate
CID 87290889
Titanium, methoxytris(2-propanolato)-
CID 144065
2-Hydroxymethyl-2-methyl-1,3-propanediol tetrahydrate
CID 145641
2-((3-Hydroxy-2,2-bis(hydroxymethyl)propoxy)methyl)-2-(methoxymethyl)propane-1,3-diol
CID 3024891
Tributoxyethoxytitanium
CID 21149757
Butyl ethyl titanate
CID 22994620

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).