methanolate;bis(2-methylprop-2-enoic acid);titanium(2+)

C10H18O6Ti — CID 18781400

IUPACmethanolate;bis(2-methylprop-2-enoic acid);titanium(2+)
SMILESC=C(C)C(=O)O.C=C(C)C(=O)O.C[O-].C[O-].[Ti+2]
InChIInChI=1S/2C4H6O2.2CH3O.Ti/c2*1-3(2)4(5)6;2*1-2;/h2*1H2,2H3,(H,5,6);2*1H3;/q;;2*-1;+2
InChIKeyTXPCOJDQAJPABA-UHFFFAOYSA-N
MW282.11 g/mol
LogP-0.76
Rot. Bonds2

About methanolate;bis(2-methylprop-2-enoic acid);titanium(2+)

methanolate;bis(2-methylprop-2-enoic acid);titanium(2+) (PubChem CID 18781400) has the molecular formula C10H18O6Ti and a molecular weight of 282.11 g/mol. Its IUPAC name is methanolate;bis(2-methylprop-2-enoic acid);titanium(2+).

Molecular Properties

Compound Namemethanolate;bis(2-methylprop-2-enoic acid);titanium(2+)
PubChem CID18781400
Molecular FormulaC10H18O6Ti
Molecular Weight282.11 g/mol
Exact Mass282.06
IUPAC Namemethanolate;bis(2-methylprop-2-enoic acid);titanium(2+)
SMILESC=C(C)C(=O)O.C=C(C)C(=O)O.C[O-].C[O-].[Ti+2]
InChIInChI=1S/2C4H6O2.2CH3O.Ti/c2*1-3(2)4(5)6;2*1-2;/h2*1H2,2H3,(H,5,6);2*1H3;/q;;2*-1;+2
InChIKeyTXPCOJDQAJPABA-UHFFFAOYSA-N
XLogP-0.76
TPSA120.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.11
LogP ≤ 5-0.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-Propenoic acid,2-methyl-, aluminum salt (3:1)
CID 87069865
CID 131883821
CID 131883821
tris(2-methylprop-2-enoic acid);yttrium
CID 121233543
ethane;bis(2-methylprop-2-enoic acid)
CID 87619293
acetic acid;2-methylprop-2-enoic acid
CID 21426946
ethene;bis(2-methylprop-2-enoic acid)
CID 158500428
tris(2-methylprop-2-enoic acid);zirconium
CID 175448767
λ2-plumbane;2-methylprop-2-enoic acid
CID 173012443
strontium;hydride;2-methylprop-2-enoic acid
CID 173027566
dilithium;hydride;2-methylprop-2-enoic acid
CID 174560536
acetic acid;cadmium;2-methylprop-2-enoic acid
CID 88716408
chromium;bis(2-methylprop-2-enoic acid);hydrate
CID 165107719

Frequently Asked Questions

What is the IUPAC name of methanolate;bis(2-methylprop-2-enoic acid);titanium(2+)?
The IUPAC name of methanolate;bis(2-methylprop-2-enoic acid);titanium(2+) (CID 18781400) is methanolate;bis(2-methylprop-2-enoic acid);titanium(2+).
What is the SMILES notation for methanolate;bis(2-methylprop-2-enoic acid);titanium(2+)?
The canonical SMILES for methanolate;bis(2-methylprop-2-enoic acid);titanium(2+) is C=C(C)C(=O)O.C=C(C)C(=O)O.C[O-].C[O-].[Ti+2].
What is the InChIKey of methanolate;bis(2-methylprop-2-enoic acid);titanium(2+)?
The InChIKey is TXPCOJDQAJPABA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H6O2.2CH3O.Ti/c2*1-3(2)4(5)6;2*1-2;/h2*1H2,2H3,(H,5,6);2*1H3;/q;;2*-1;+2.
What are the key properties of methanolate;bis(2-methylprop-2-enoic acid);titanium(2+)?
methanolate;bis(2-methylprop-2-enoic acid);titanium(2+) has a molecular weight of 282.11 g/mol, XLogP of -0.76, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methanolate;bis(2-methylprop-2-enoic acid);titanium(2+) is sourced from PubChem (CID 18781400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).