bis(2-ethylhexanoate);tin(2+)

C16H30O4Sn — CID 9318

IUPACbis(2-ethylhexanoate);tin(2+)
SMILESCCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].[Sn+2]
InChIInChI=1S/2C8H16O2.Sn/c2*1-3-5-6-7(4-2)8(9)10;/h2*7H,3-6H2,1-2H3,(H,9,10);/q;;+2/p-2
InChIKeyKSBAEPSJVUENNK-UHFFFAOYSA-L
MW405.12 g/mol
LogP1.52
Rot. Bonds10

About bis(2-ethylhexanoate);tin(2+)

bis(2-ethylhexanoate);tin(2+) (PubChem CID 9318) has the molecular formula C16H30O4Sn and a molecular weight of 405.12 g/mol. Its IUPAC name is bis(2-ethylhexanoate);tin(2+).

Molecular Properties

Compound Namebis(2-ethylhexanoate);tin(2+)
PubChem CID9318
Molecular FormulaC16H30O4Sn
Molecular Weight405.12 g/mol
Exact Mass406.12
IUPAC Namebis(2-ethylhexanoate);tin(2+)
SMILESCCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].[Sn+2]
InChIInChI=1S/2C8H16O2.Sn/c2*1-3-5-6-7(4-2)8(9)10;/h2*7H,3-6H2,1-2H3,(H,9,10);/q;;+2/p-2
InChIKeyKSBAEPSJVUENNK-UHFFFAOYSA-L
XLogP1.52
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.12
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze bis(2-ethylhexanoate);tin(2+) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of bis(2-ethylhexanoate);tin(2+)?
The IUPAC name of bis(2-ethylhexanoate);tin(2+) (CID 9318) is bis(2-ethylhexanoate);tin(2+).
What is the SMILES notation for bis(2-ethylhexanoate);tin(2+)?
The canonical SMILES for bis(2-ethylhexanoate);tin(2+) is CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].[Sn+2].
What is the InChIKey of bis(2-ethylhexanoate);tin(2+)?
The InChIKey is KSBAEPSJVUENNK-UHFFFAOYSA-L. The full InChI is InChI=1S/2C8H16O2.Sn/c2*1-3-5-6-7(4-2)8(9)10;/h2*7H,3-6H2,1-2H3,(H,9,10);/q;;+2/p-2.
What are the key properties of bis(2-ethylhexanoate);tin(2+)?
bis(2-ethylhexanoate);tin(2+) has a molecular weight of 405.12 g/mol, XLogP of 1.52, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-ethylhexanoate);tin(2+) is sourced from PubChem (CID 9318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).