butanoate;titanium(2+);acetate

C6H10O4Ti — CID 87845450

IUPACbutanoate;titanium(2+);acetate
SMILESCC(=O)[O-].CCCC(=O)[O-].[Ti+2]
InChIInChI=1S/C4H8O2.C2H4O2.Ti/c1-2-3-4(5)6;1-2(3)4;/h2-3H2,1H3,(H,5,6);1H3,(H,3,4);/q;;+2/p-2
InChIKeyOWUPFSVSTGZWFK-UHFFFAOYSA-L
MW194.01 g/mol
LogP-1.71
Rot. Bonds2

About butanoate;titanium(2+);acetate

butanoate;titanium(2+);acetate (PubChem CID 87845450) has the molecular formula C6H10O4Ti and a molecular weight of 194.01 g/mol. Its IUPAC name is butanoate;titanium(2+);acetate.

Molecular Properties

Compound Namebutanoate;titanium(2+);acetate
PubChem CID87845450
Molecular FormulaC6H10O4Ti
Molecular Weight194.01 g/mol
Exact Mass194.01
IUPAC Namebutanoate;titanium(2+);acetate
SMILESCC(=O)[O-].CCCC(=O)[O-].[Ti+2]
InChIInChI=1S/C4H8O2.C2H4O2.Ti/c1-2-3-4(5)6;1-2(3)4;/h2-3H2,1H3,(H,5,6);1H3,(H,3,4);/q;;+2/p-2
InChIKeyOWUPFSVSTGZWFK-UHFFFAOYSA-L
XLogP-1.71
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.01
LogP ≤ 5-1.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

butanoate;titanium(4+);acetate
CID 159866524
butanoate;tin(4+)
CID 159447903
tetrapotassium;butanoate
CID 140982885
silver butanoate
CID 14944495
strontium butanoate
CID 19035288
butanoate;bis(rhodium(3+))
CID 173415846
butanoate;ytterbium(2+)
CID 88777454
potassium butanoate
CID 23677461
magnesium butanoate
CID 6453218
butanoate;carbanide;chromium(3+)
CID 158360920
disodium;butanoate;hydroxide
CID 173219323
butanoate;silicon(4+);titanium(4+)
CID 158800899

Frequently Asked Questions

What is the IUPAC name of butanoate;titanium(2+);acetate?
The IUPAC name of butanoate;titanium(2+);acetate (CID 87845450) is butanoate;titanium(2+);acetate.
What is the SMILES notation for butanoate;titanium(2+);acetate?
The canonical SMILES for butanoate;titanium(2+);acetate is CC(=O)[O-].CCCC(=O)[O-].[Ti+2].
What is the InChIKey of butanoate;titanium(2+);acetate?
The InChIKey is OWUPFSVSTGZWFK-UHFFFAOYSA-L. The full InChI is InChI=1S/C4H8O2.C2H4O2.Ti/c1-2-3-4(5)6;1-2(3)4;/h2-3H2,1H3,(H,5,6);1H3,(H,3,4);/q;;+2/p-2.
What are the key properties of butanoate;titanium(2+);acetate?
butanoate;titanium(2+);acetate has a molecular weight of 194.01 g/mol, XLogP of -1.71, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butanoate;titanium(2+);acetate is sourced from PubChem (CID 87845450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).