formic acid;methanolate;titanium

C4H9O7Ti- — CID 18780848

IUPACformic acid;methanolate;titanium
SMILESC[O-].O=CO.O=CO.O=CO.[Ti]
InChIInChI=1S/3CH2O2.CH3O.Ti/c3*2-1-3;1-2;/h3*1H,(H,2,3);1H3;/q;;;-1;
InChIKeyIYLRKYHOSKOVEC-UHFFFAOYSA-N
MW216.98 g/mol
LogP-1.92
Rot. Bonds

About formic acid;methanolate;titanium

formic acid;methanolate;titanium (PubChem CID 18780848) has the molecular formula C4H9O7Ti- and a molecular weight of 216.98 g/mol. Its IUPAC name is formic acid;methanolate;titanium.

Molecular Properties

Compound Nameformic acid;methanolate;titanium
PubChem CID18780848
Molecular FormulaC4H9O7Ti-
Molecular Weight216.98 g/mol
Exact Mass216.98
IUPAC Nameformic acid;methanolate;titanium
SMILESC[O-].O=CO.O=CO.O=CO.[Ti]
InChIInChI=1S/3CH2O2.CH3O.Ti/c3*2-1-3;1-2;/h3*1H,(H,2,3);1H3;/q;;;-1;
InChIKeyIYLRKYHOSKOVEC-UHFFFAOYSA-N
XLogP-1.92
TPSA134.96 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.98
LogP ≤ 5-1.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of formic acid;methanolate;titanium?
The IUPAC name of formic acid;methanolate;titanium (CID 18780848) is formic acid;methanolate;titanium.
What is the SMILES notation for formic acid;methanolate;titanium?
The canonical SMILES for formic acid;methanolate;titanium is C[O-].O=CO.O=CO.O=CO.[Ti].
What is the InChIKey of formic acid;methanolate;titanium?
The InChIKey is IYLRKYHOSKOVEC-UHFFFAOYSA-N. The full InChI is InChI=1S/3CH2O2.CH3O.Ti/c3*2-1-3;1-2;/h3*1H,(H,2,3);1H3;/q;;;-1;.
What are the key properties of formic acid;methanolate;titanium?
formic acid;methanolate;titanium has a molecular weight of 216.98 g/mol, XLogP of -1.92, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;methanolate;titanium is sourced from PubChem (CID 18780848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).