butanoate;titanium(4+);acetate

C14H24O8Ti — CID 159866524

IUPACbutanoate;titanium(4+);acetate
SMILESCC(=O)[O-].CCCC(=O)[O-].CCCC(=O)[O-].CCCC(=O)[O-].[Ti+4]
InChIInChI=1S/3C4H8O2.C2H4O2.Ti/c3*1-2-3-4(5)6;1-2(3)4;/h3*2-3H2,1H3,(H,5,6);1H3,(H,3,4);/q;;;;+4/p-4
InChIKeyOEBRHZQSWMHYTF-UHFFFAOYSA-J
MW368.21 g/mol
LogP-2.64
Rot. Bonds6

About butanoate;titanium(4+);acetate

butanoate;titanium(4+);acetate (PubChem CID 159866524) has the molecular formula C14H24O8Ti and a molecular weight of 368.21 g/mol. Its IUPAC name is butanoate;titanium(4+);acetate.

Molecular Properties

Compound Namebutanoate;titanium(4+);acetate
PubChem CID159866524
Molecular FormulaC14H24O8Ti
Molecular Weight368.21 g/mol
Exact Mass368.10
IUPAC Namebutanoate;titanium(4+);acetate
SMILESCC(=O)[O-].CCCC(=O)[O-].CCCC(=O)[O-].CCCC(=O)[O-].[Ti+4]
InChIInChI=1S/3C4H8O2.C2H4O2.Ti/c3*1-2-3-4(5)6;1-2(3)4;/h3*2-3H2,1H3,(H,5,6);1H3,(H,3,4);/q;;;;+4/p-4
InChIKeyOEBRHZQSWMHYTF-UHFFFAOYSA-J
XLogP-2.64
TPSA160.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.21
LogP ≤ 5-2.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

butanoate;silicon(4+);titanium(4+)
CID 158800899
butanoate;titanium(2+);acetate
CID 87845450
butanoate;ytterbium(2+)
CID 88777454
strontium butanoate
CID 19035288
butanoate;bis(rhodium(3+))
CID 173415846
silver butanoate
CID 14944495
tetrapotassium;butanoate
CID 140982885
butanoate;tin(4+)
CID 159447903
potassium butanoate
CID 23677461
magnesium butanoate
CID 6453218
disodium;butanoate;hydroxide
CID 173219323
butanoate;carbanide;chromium(3+)
CID 158360920

Frequently Asked Questions

What is the IUPAC name of butanoate;titanium(4+);acetate?
The IUPAC name of butanoate;titanium(4+);acetate (CID 159866524) is butanoate;titanium(4+);acetate.
What is the SMILES notation for butanoate;titanium(4+);acetate?
The canonical SMILES for butanoate;titanium(4+);acetate is CC(=O)[O-].CCCC(=O)[O-].CCCC(=O)[O-].CCCC(=O)[O-].[Ti+4].
What is the InChIKey of butanoate;titanium(4+);acetate?
The InChIKey is OEBRHZQSWMHYTF-UHFFFAOYSA-J. The full InChI is InChI=1S/3C4H8O2.C2H4O2.Ti/c3*1-2-3-4(5)6;1-2(3)4;/h3*2-3H2,1H3,(H,5,6);1H3,(H,3,4);/q;;;;+4/p-4.
What are the key properties of butanoate;titanium(4+);acetate?
butanoate;titanium(4+);acetate has a molecular weight of 368.21 g/mol, XLogP of -2.64, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for butanoate;titanium(4+);acetate is sourced from PubChem (CID 159866524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).