2-ethylhexanoate;tin(2+)

C8H15O2Sn+ — CID 23616604

IUPAC2-ethylhexanoate;tin(2+)
SMILESCCCCC(CC)C(=O)[O-].[Sn+2]
InChIInChI=1S/C8H16O2.Sn/c1-3-5-6-7(4-2)8(9)10;/h7H,3-6H2,1-2H3,(H,9,10);/q;+2/p-1
InChIKeyANDXTQWVHRNHDH-UHFFFAOYSA-M
MW261.92 g/mol
LogP0.57
Rot. Bonds5

About 2-ethylhexanoate;tin(2+)

2-ethylhexanoate;tin(2+) (PubChem CID 23616604) has the molecular formula C8H15O2Sn+ and a molecular weight of 261.92 g/mol. Its IUPAC name is 2-ethylhexanoate;tin(2+).

Molecular Properties

Compound Name2-ethylhexanoate;tin(2+)
PubChem CID23616604
Molecular FormulaC8H15O2Sn+
Molecular Weight261.92 g/mol
Exact Mass263.01
IUPAC Name2-ethylhexanoate;tin(2+)
SMILESCCCCC(CC)C(=O)[O-].[Sn+2]
InChIInChI=1S/C8H16O2.Sn/c1-3-5-6-7(4-2)8(9)10;/h7H,3-6H2,1-2H3,(H,9,10);/q;+2/p-1
InChIKeyANDXTQWVHRNHDH-UHFFFAOYSA-M
XLogP0.57
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.92
LogP ≤ 50.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

tetrakis(2-ethylhexanoate);tin(4+)
CID 22506300
gallium 2-ethylhexanoate
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CID 21474875
CID 21474875
bis(2-ethylhexanoate);zirconium(2+)
CID 13388286
tetrakis(2-ethylhexanoate);thorium(4+)
CID 175390088
bis(copper(1+));bis(2-ethylhexanoate)
CID 21116994
bis(2-ethylhexanoate);molybdenum(2+)
CID 19602338
tetrakis(2-ethylhexanoate);bis(zirconium(4+))
CID 175920407
bis(2-ethylhexanoate);titanium(4+);dichloride
CID 173230651
decakis(2-ethylhexanoate);lead(2+);bis(manganese(2+));bis(nickel(2+))
CID 173457056
bis(2-ethylhexanoate);oxygen(2-);bis(zirconium(2+));dihydrate
CID 170851624
2-ethylhexanoate;bis(nickel(2+));acetate
CID 19733896

Frequently Asked Questions

What is the IUPAC name of 2-ethylhexanoate;tin(2+)?
The IUPAC name of 2-ethylhexanoate;tin(2+) (CID 23616604) is 2-ethylhexanoate;tin(2+).
What is the SMILES notation for 2-ethylhexanoate;tin(2+)?
The canonical SMILES for 2-ethylhexanoate;tin(2+) is CCCCC(CC)C(=O)[O-].[Sn+2].
What is the InChIKey of 2-ethylhexanoate;tin(2+)?
The InChIKey is ANDXTQWVHRNHDH-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H16O2.Sn/c1-3-5-6-7(4-2)8(9)10;/h7H,3-6H2,1-2H3,(H,9,10);/q;+2/p-1.
What are the key properties of 2-ethylhexanoate;tin(2+)?
2-ethylhexanoate;tin(2+) has a molecular weight of 261.92 g/mol, XLogP of 0.57, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylhexanoate;tin(2+) is sourced from PubChem (CID 23616604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).