[butyl-bis(2-ethylhexanoyloxy)stannyl] 2-ethylhexanoate

C28H54O6Sn — CID 16684054

IUPAC[butyl-bis(2-ethylhexanoyloxy)stannyl] 2-ethylhexanoate
SMILESCCCCC(CC)C(=O)O[Sn](CCCC)(OC(=O)C(CC)CCCC)OC(=O)C(CC)CCCC
InChIInChI=1S/3C8H16O2.C4H9.Sn/c3*1-3-5-6-7(4-2)8(9)10;1-3-4-2;/h3*7H,3-6H2,1-2H3,(H,9,10);1,3-4H2,2H3;/q;;;;+3/p-3
InChIKeyGVKORIDPEBYOFR-UHFFFAOYSA-K
MW605.45 g/mol
LogP8.00
Rot. Bonds21

About [butyl-bis(2-ethylhexanoyloxy)stannyl] 2-ethylhexanoate

[butyl-bis(2-ethylhexanoyloxy)stannyl] 2-ethylhexanoate (PubChem CID 16684054) has the molecular formula C28H54O6Sn and a molecular weight of 605.45 g/mol. Its IUPAC name is [butyl-bis(2-ethylhexanoyloxy)stannyl] 2-ethylhexanoate.

Molecular Properties

Compound Name[butyl-bis(2-ethylhexanoyloxy)stannyl] 2-ethylhexanoate
PubChem CID16684054
Molecular FormulaC28H54O6Sn
Molecular Weight605.45 g/mol
Exact Mass606.29
IUPAC Name[butyl-bis(2-ethylhexanoyloxy)stannyl] 2-ethylhexanoate
SMILESCCCCC(CC)C(=O)O[Sn](CCCC)(OC(=O)C(CC)CCCC)OC(=O)C(CC)CCCC
InChIInChI=1S/3C8H16O2.C4H9.Sn/c3*1-3-5-6-7(4-2)8(9)10;1-3-4-2;/h3*7H,3-6H2,1-2H3,(H,9,10);1,3-4H2,2H3;/q;;;;+3/p-3
InChIKeyGVKORIDPEBYOFR-UHFFFAOYSA-K
XLogP8.00
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds21
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500605.45
LogP ≤ 58.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [butyl-bis(2-ethylhexanoyloxy)stannyl] 2-ethylhexanoate?
The IUPAC name of [butyl-bis(2-ethylhexanoyloxy)stannyl] 2-ethylhexanoate (CID 16684054) is [butyl-bis(2-ethylhexanoyloxy)stannyl] 2-ethylhexanoate.
What is the SMILES notation for [butyl-bis(2-ethylhexanoyloxy)stannyl] 2-ethylhexanoate?
The canonical SMILES for [butyl-bis(2-ethylhexanoyloxy)stannyl] 2-ethylhexanoate is CCCCC(CC)C(=O)O[Sn](CCCC)(OC(=O)C(CC)CCCC)OC(=O)C(CC)CCCC.
What is the InChIKey of [butyl-bis(2-ethylhexanoyloxy)stannyl] 2-ethylhexanoate?
The InChIKey is GVKORIDPEBYOFR-UHFFFAOYSA-K. The full InChI is InChI=1S/3C8H16O2.C4H9.Sn/c3*1-3-5-6-7(4-2)8(9)10;1-3-4-2;/h3*7H,3-6H2,1-2H3,(H,9,10);1,3-4H2,2H3;/q;;;;+3/p-3.
What are the key properties of [butyl-bis(2-ethylhexanoyloxy)stannyl] 2-ethylhexanoate?
[butyl-bis(2-ethylhexanoyloxy)stannyl] 2-ethylhexanoate has a molecular weight of 605.45 g/mol, XLogP of 8.00, 21 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [butyl-bis(2-ethylhexanoyloxy)stannyl] 2-ethylhexanoate is sourced from PubChem (CID 16684054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).