butanoate;bis(butan-1-ol);titanium(2+)

C16H34O6Ti — CID 162313581

IUPACbutanoate;bis(butan-1-ol);titanium(2+)
SMILESCCCC(=O)[O-].CCCC(=O)[O-].CCCCO.CCCCO.[Ti+2]
InChIInChI=1S/2C4H8O2.2C4H10O.Ti/c2*1-2-3-4(5)6;2*1-2-3-4-5;/h2*2-3H2,1H3,(H,5,6);2*5H,2-4H2,1H3;/q;;;;+2/p-2
InChIKeyNJXNDCYYYOMNHZ-UHFFFAOYSA-L
MW370.31 g/mol
LogP0.63
Rot. Bonds8

About butanoate;bis(butan-1-ol);titanium(2+)

butanoate;bis(butan-1-ol);titanium(2+) (PubChem CID 162313581) has the molecular formula C16H34O6Ti and a molecular weight of 370.31 g/mol. Its IUPAC name is butanoate;bis(butan-1-ol);titanium(2+).

Molecular Properties

Compound Namebutanoate;bis(butan-1-ol);titanium(2+)
PubChem CID162313581
Molecular FormulaC16H34O6Ti
Molecular Weight370.31 g/mol
Exact Mass370.18
IUPAC Namebutanoate;bis(butan-1-ol);titanium(2+)
SMILESCCCC(=O)[O-].CCCC(=O)[O-].CCCCO.CCCCO.[Ti+2]
InChIInChI=1S/2C4H8O2.2C4H10O.Ti/c2*1-2-3-4(5)6;2*1-2-3-4-5;/h2*2-3H2,1H3,(H,5,6);2*5H,2-4H2,1H3;/q;;;;+2/p-2
InChIKeyNJXNDCYYYOMNHZ-UHFFFAOYSA-L
XLogP0.63
TPSA120.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.31
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

butan-1-ol;bis(octadecanoate);titanium(2+)
CID 158035093
butanoate;titanium(2+);acetate
CID 87845450
butanoate;ytterbium(2+)
CID 88777454
strontium butanoate
CID 19035288
butanoate;bis(rhodium(3+))
CID 173415846
tetrapotassium;butanoate
CID 140982885
silver butanoate
CID 14944495
butanoate;tin(4+)
CID 159447903
potassium butanoate
CID 23677461
magnesium butanoate
CID 6453218
butan-1-ol;bis(3-oxoheptanoate);titanium(2+)
CID 159864988
bis(butan-1-ol);bis(2-butanoyloxyacetate);titanium(2+)
CID 159819746

Frequently Asked Questions

What is the IUPAC name of butanoate;bis(butan-1-ol);titanium(2+)?
The IUPAC name of butanoate;bis(butan-1-ol);titanium(2+) (CID 162313581) is butanoate;bis(butan-1-ol);titanium(2+).
What is the SMILES notation for butanoate;bis(butan-1-ol);titanium(2+)?
The canonical SMILES for butanoate;bis(butan-1-ol);titanium(2+) is CCCC(=O)[O-].CCCC(=O)[O-].CCCCO.CCCCO.[Ti+2].
What is the InChIKey of butanoate;bis(butan-1-ol);titanium(2+)?
The InChIKey is NJXNDCYYYOMNHZ-UHFFFAOYSA-L. The full InChI is InChI=1S/2C4H8O2.2C4H10O.Ti/c2*1-2-3-4(5)6;2*1-2-3-4-5;/h2*2-3H2,1H3,(H,5,6);2*5H,2-4H2,1H3;/q;;;;+2/p-2.
What are the key properties of butanoate;bis(butan-1-ol);titanium(2+)?
butanoate;bis(butan-1-ol);titanium(2+) has a molecular weight of 370.31 g/mol, XLogP of 0.63, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for butanoate;bis(butan-1-ol);titanium(2+) is sourced from PubChem (CID 162313581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).