cobalt;pentane-2,4-dione;titanium

C5H7CoO2Ti- — CID 174458762

IUPACcobalt;pentane-2,4-dione;titanium
SMILES[CH2-]C(=O)CC(C)=O.[Co].[Ti]
InChIInChI=1S/C5H7O2.Co.Ti/c1-4(6)3-5(2)7;;/h1,3H2,2H3;;/q-1;;
InChIKeyAEENYPZQYBCMSA-UHFFFAOYSA-N
MW205.91 g/mol
LogP0.36
Rot. Bonds2

About cobalt;pentane-2,4-dione;titanium

cobalt;pentane-2,4-dione;titanium (PubChem CID 174458762) has the molecular formula C5H7CoO2Ti- and a molecular weight of 205.91 g/mol. Its IUPAC name is cobalt;pentane-2,4-dione;titanium.

Molecular Properties

Compound Namecobalt;pentane-2,4-dione;titanium
PubChem CID174458762
Molecular FormulaC5H7CoO2Ti-
Molecular Weight205.91 g/mol
Exact Mass205.93
IUPAC Namecobalt;pentane-2,4-dione;titanium
SMILES[CH2-]C(=O)CC(C)=O.[Co].[Ti]
InChIInChI=1S/C5H7O2.Co.Ti/c1-4(6)3-5(2)7;;/h1,3H2,2H3;;/q-1;;
InChIKeyAEENYPZQYBCMSA-UHFFFAOYSA-N
XLogP0.36
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.91
LogP ≤ 50.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze cobalt;pentane-2,4-dione;titanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Acetylacetone
CID 31261
2,4-Pentanedione, ion(1-), sodium (1:1)
CID 11040691
pentane-2,4-dione, monopotassium salt
CID 23687521
2,3,4-Pentanetrione
CID 136703
Lithium(1+) 2,4-dioxopentan-3-id-3-yl
CID 24192443
(2H8)pentane-2,4-dione
CID 12196717
(pentane-2,4-dionato-O,O')rubidium
CID 23704362
Thallium acetylacetonate
CID 10859654
Acetylacetone-d2
CID 58478990
Cobaltpentane-2.4-dione
CID 88244097
3-Deuteriopentane-2,4-dione
CID 88559639
CID 123573395
CID 123573395

Frequently Asked Questions

What is the IUPAC name of cobalt;pentane-2,4-dione;titanium?
The IUPAC name of cobalt;pentane-2,4-dione;titanium (CID 174458762) is cobalt;pentane-2,4-dione;titanium.
What is the SMILES notation for cobalt;pentane-2,4-dione;titanium?
The canonical SMILES for cobalt;pentane-2,4-dione;titanium is [CH2-]C(=O)CC(C)=O.[Co].[Ti].
What is the InChIKey of cobalt;pentane-2,4-dione;titanium?
The InChIKey is AEENYPZQYBCMSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7O2.Co.Ti/c1-4(6)3-5(2)7;;/h1,3H2,2H3;;/q-1;;.
What are the key properties of cobalt;pentane-2,4-dione;titanium?
cobalt;pentane-2,4-dione;titanium has a molecular weight of 205.91 g/mol, XLogP of 0.36, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt;pentane-2,4-dione;titanium is sourced from PubChem (CID 174458762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).