dioxotitanium;hydroxymethanone

CHO4Ti- — CID 174625638

IUPACdioxotitanium;hydroxymethanone
SMILESO=[C-]O.O=[Ti]=O
InChIInChI=1S/CHO2.2O.Ti/c2-1-3;;;/h(H,2,3);;;/q-1;;;
InChIKeyZIQBVPXWPYRQFF-UHFFFAOYSA-N
MW124.88 g/mol
LogP-0.63
Rot. Bonds

About dioxotitanium;hydroxymethanone

dioxotitanium;hydroxymethanone (PubChem CID 174625638) has the molecular formula CHO4Ti- and a molecular weight of 124.88 g/mol. Its IUPAC name is dioxotitanium;hydroxymethanone.

Molecular Properties

Compound Namedioxotitanium;hydroxymethanone
PubChem CID174625638
Molecular FormulaCHO4Ti-
Molecular Weight124.88 g/mol
Exact Mass124.94
IUPAC Namedioxotitanium;hydroxymethanone
SMILESO=[C-]O.O=[Ti]=O
InChIInChI=1S/CHO2.2O.Ti/c2-1-3;;;/h(H,2,3);;;/q-1;;;
InChIKeyZIQBVPXWPYRQFF-UHFFFAOYSA-N
XLogP-0.63
TPSA71.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.88
LogP ≤ 5-0.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

hydroxymethanone
CID 54723866
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CID 173350223
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hydroxymethanone;ruthenium(1+)
CID 87059132
hydroxymethanone;vanadium
CID 59094876
hydroxymethanone;ruthenium(4+)
CID 172995275
hydroxymethanone;tungsten
CID 141151866
sodium;hydroxymethanone;phosphane
CID 159362533
silver;azane;hydroxymethanone
CID 166682246
copper(1+);hydroxymethanone;methane
CID 174882093
bismuthane;hydroxymethanone;zinc
CID 174420136
hydroxymethanone;oxovanadium(2+)
CID 87184679

Frequently Asked Questions

What is the IUPAC name of dioxotitanium;hydroxymethanone?
The IUPAC name of dioxotitanium;hydroxymethanone (CID 174625638) is dioxotitanium;hydroxymethanone.
What is the SMILES notation for dioxotitanium;hydroxymethanone?
The canonical SMILES for dioxotitanium;hydroxymethanone is O=[C-]O.O=[Ti]=O.
What is the InChIKey of dioxotitanium;hydroxymethanone?
The InChIKey is ZIQBVPXWPYRQFF-UHFFFAOYSA-N. The full InChI is InChI=1S/CHO2.2O.Ti/c2-1-3;;;/h(H,2,3);;;/q-1;;;.
What are the key properties of dioxotitanium;hydroxymethanone?
dioxotitanium;hydroxymethanone has a molecular weight of 124.88 g/mol, XLogP of -0.63, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dioxotitanium;hydroxymethanone is sourced from PubChem (CID 174625638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).