2-methylprop-2-enoic acid;tris(propan-2-olate);titanium(3+)

C13H27O5Ti — CID 175340014

IUPAC2-methylprop-2-enoic acid;tris(propan-2-olate);titanium(3+)
SMILESC=C(C)C(=O)O.CC(C)[O-].CC(C)[O-].CC(C)[O-].[Ti+3]
InChIInChI=1S/C4H6O2.3C3H7O.Ti/c1-3(2)4(5)6;3*1-3(2)4;/h1H2,2H3,(H,5,6);3*3H,1-2H3;/q;3*-1;+3
InChIKeyOHSCTDIDPBZILB-UHFFFAOYSA-N
MW311.22 g/mol
LogP-0.09
Rot. Bonds1

About 2-methylprop-2-enoic acid;tris(propan-2-olate);titanium(3+)

2-methylprop-2-enoic acid;tris(propan-2-olate);titanium(3+) (PubChem CID 175340014) has the molecular formula C13H27O5Ti and a molecular weight of 311.22 g/mol. Its IUPAC name is 2-methylprop-2-enoic acid;tris(propan-2-olate);titanium(3+).

Molecular Properties

Compound Name2-methylprop-2-enoic acid;tris(propan-2-olate);titanium(3+)
PubChem CID175340014
Molecular FormulaC13H27O5Ti
Molecular Weight311.22 g/mol
Exact Mass311.13
IUPAC Name2-methylprop-2-enoic acid;tris(propan-2-olate);titanium(3+)
SMILESC=C(C)C(=O)O.CC(C)[O-].CC(C)[O-].CC(C)[O-].[Ti+3]
InChIInChI=1S/C4H6O2.3C3H7O.Ti/c1-3(2)4(5)6;3*1-3(2)4;/h1H2,2H3,(H,5,6);3*3H,1-2H3;/q;3*-1;+3
InChIKeyOHSCTDIDPBZILB-UHFFFAOYSA-N
XLogP-0.09
TPSA106.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.22
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methanolate;bis(2-methylprop-2-enoic acid);titanium(2+)
CID 18781400
tris(2-methylprop-2-enoic acid);zirconium
CID 175448767
CID 131883821
CID 131883821
tris(2-methylprop-2-enoic acid);yttrium
CID 121233543
acetic acid;2-methylprop-2-enoic acid
CID 21426946
ethane;bis(2-methylprop-2-enoic acid)
CID 87619293
2-Propenoic acid,2-methyl-, aluminum salt (3:1)
CID 87069865
ethene;bis(2-methylprop-2-enoic acid)
CID 158500428
λ2-plumbane;2-methylprop-2-enoic acid
CID 173012443
CID 174929584
CID 174929584
strontium;hydride;2-methylprop-2-enoic acid
CID 173027566
dilithium;hydride;2-methylprop-2-enoic acid
CID 174560536

Frequently Asked Questions

What is the IUPAC name of 2-methylprop-2-enoic acid;tris(propan-2-olate);titanium(3+)?
The IUPAC name of 2-methylprop-2-enoic acid;tris(propan-2-olate);titanium(3+) (CID 175340014) is 2-methylprop-2-enoic acid;tris(propan-2-olate);titanium(3+).
What is the SMILES notation for 2-methylprop-2-enoic acid;tris(propan-2-olate);titanium(3+)?
The canonical SMILES for 2-methylprop-2-enoic acid;tris(propan-2-olate);titanium(3+) is C=C(C)C(=O)O.CC(C)[O-].CC(C)[O-].CC(C)[O-].[Ti+3].
What is the InChIKey of 2-methylprop-2-enoic acid;tris(propan-2-olate);titanium(3+)?
The InChIKey is OHSCTDIDPBZILB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O2.3C3H7O.Ti/c1-3(2)4(5)6;3*1-3(2)4;/h1H2,2H3,(H,5,6);3*3H,1-2H3;/q;3*-1;+3.
What are the key properties of 2-methylprop-2-enoic acid;tris(propan-2-olate);titanium(3+)?
2-methylprop-2-enoic acid;tris(propan-2-olate);titanium(3+) has a molecular weight of 311.22 g/mol, XLogP of -0.09, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylprop-2-enoic acid;tris(propan-2-olate);titanium(3+) is sourced from PubChem (CID 175340014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).