ethanone;titanium

C2H3OTi- — CID 71775225

IUPACethanone;titanium
SMILESC[C-]=O.[Ti]
InChIInChI=1S/C2H3O.Ti/c1-2-3;/h1H3;/q-1;
InChIKeyRAMJOQBXCVVVLP-UHFFFAOYSA-N
MW90.91 g/mol
LogP0.11
Rot. Bonds

About ethanone;titanium

ethanone;titanium (PubChem CID 71775225) has the molecular formula C2H3OTi- and a molecular weight of 90.91 g/mol. Its IUPAC name is ethanone;titanium.

Molecular Properties

Compound Nameethanone;titanium
PubChem CID71775225
Molecular FormulaC2H3OTi-
Molecular Weight90.91 g/mol
Exact Mass90.97
IUPAC Nameethanone;titanium
SMILESC[C-]=O.[Ti]
InChIInChI=1S/C2H3O.Ti/c1-2-3;/h1H3;/q-1;
InChIKeyRAMJOQBXCVVVLP-UHFFFAOYSA-N
XLogP0.11
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50090.91
LogP ≤ 50.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 ethanone;titanium?
The IUPAC name of ethanone;titanium (CID 71775225) is ethanone;titanium.
What is the SMILES notation for ethanone;titanium?
The canonical SMILES for ethanone;titanium is C[C-]=O.[Ti].
What is the InChIKey of ethanone;titanium?
The InChIKey is RAMJOQBXCVVVLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H3O.Ti/c1-2-3;/h1H3;/q-1;.
What are the key properties of ethanone;titanium?
ethanone;titanium has a molecular weight of 90.91 g/mol, XLogP of 0.11, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethanone;titanium is sourced from PubChem (CID 71775225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).