carbanide;tetrakis(titanium(2+));tetrahydrate

C8H32O4Ti4 — CID 59518356

IUPACcarbanide;tetrakis(titanium(2+));tetrahydrate
SMILESO.O.O.O.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Ti+2].[Ti+2].[Ti+2].[Ti+2]
InChIInChI=1S/8CH3.4H2O.4Ti/h8*1H3;4*1H2;;;;/q8*-1;;;;;4*+2
InChIKeyYJJLGTIDKCNZKS-UHFFFAOYSA-N
MW383.81 g/mol
LogP0.29
Rot. Bonds

About carbanide;tetrakis(titanium(2+));tetrahydrate

carbanide;tetrakis(titanium(2+));tetrahydrate (PubChem CID 59518356) has the molecular formula C8H32O4Ti4 and a molecular weight of 383.81 g/mol. Its IUPAC name is carbanide;tetrakis(titanium(2+));tetrahydrate.

Molecular Properties

Compound Namecarbanide;tetrakis(titanium(2+));tetrahydrate
PubChem CID59518356
Molecular FormulaC8H32O4Ti4
Molecular Weight383.81 g/mol
Exact Mass384.02
IUPAC Namecarbanide;tetrakis(titanium(2+));tetrahydrate
SMILESO.O.O.O.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Ti+2].[Ti+2].[Ti+2].[Ti+2]
InChIInChI=1S/8CH3.4H2O.4Ti/h8*1H3;4*1H2;;;;/q8*-1;;;;;4*+2
InChIKeyYJJLGTIDKCNZKS-UHFFFAOYSA-N
XLogP0.29
TPSA126.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.81
LogP ≤ 50.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 carbanide;tetrakis(titanium(2+));tetrahydrate?
The IUPAC name of carbanide;tetrakis(titanium(2+));tetrahydrate (CID 59518356) is carbanide;tetrakis(titanium(2+));tetrahydrate.
What is the SMILES notation for carbanide;tetrakis(titanium(2+));tetrahydrate?
The canonical SMILES for carbanide;tetrakis(titanium(2+));tetrahydrate is O.O.O.O.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Ti+2].[Ti+2].[Ti+2].[Ti+2].
What is the InChIKey of carbanide;tetrakis(titanium(2+));tetrahydrate?
The InChIKey is YJJLGTIDKCNZKS-UHFFFAOYSA-N. The full InChI is InChI=1S/8CH3.4H2O.4Ti/h8*1H3;4*1H2;;;;/q8*-1;;;;;4*+2.
What are the key properties of carbanide;tetrakis(titanium(2+));tetrahydrate?
carbanide;tetrakis(titanium(2+));tetrahydrate has a molecular weight of 383.81 g/mol, XLogP of 0.29, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;tetrakis(titanium(2+));tetrahydrate is sourced from PubChem (CID 59518356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).