[(2-hexylsulfanylacetyl)oxy-dioctylstannyl] 2-hexylsulfanylacetate

C32H64O4S2Sn — CID 139892414

IUPAC[(2-hexylsulfanylacetyl)oxy-dioctylstannyl] 2-hexylsulfanylacetate
SMILESCCCCCCCC[Sn](CCCCCCCC)(OC(=O)CSCCCCCC)OC(=O)CSCCCCCC
InChIInChI=1S/2C8H16O2S.2C8H17.Sn/c2*1-2-3-4-5-6-11-7-8(9)10;2*1-3-5-7-8-6-4-2;/h2*2-7H2,1H3,(H,9,10);2*1,3-8H2,2H3;/q;;;;+2/p-2
InChIKeyHURKFNQYPNXRLX-UHFFFAOYSA-L
MW695.70 g/mol
LogP10.86
Rot. Bonds30

About [(2-hexylsulfanylacetyl)oxy-dioctylstannyl] 2-hexylsulfanylacetate

[(2-hexylsulfanylacetyl)oxy-dioctylstannyl] 2-hexylsulfanylacetate (PubChem CID 139892414) has the molecular formula C32H64O4S2Sn and a molecular weight of 695.70 g/mol. Its IUPAC name is [(2-hexylsulfanylacetyl)oxy-dioctylstannyl] 2-hexylsulfanylacetate.

Molecular Properties

Compound Name[(2-hexylsulfanylacetyl)oxy-dioctylstannyl] 2-hexylsulfanylacetate
PubChem CID139892414
Molecular FormulaC32H64O4S2Sn
Molecular Weight695.70 g/mol
Exact Mass696.33
IUPAC Name[(2-hexylsulfanylacetyl)oxy-dioctylstannyl] 2-hexylsulfanylacetate
SMILESCCCCCCCC[Sn](CCCCCCCC)(OC(=O)CSCCCCCC)OC(=O)CSCCCCCC
InChIInChI=1S/2C8H16O2S.2C8H17.Sn/c2*1-2-3-4-5-6-11-7-8(9)10;2*1-3-5-7-8-6-4-2;/h2*2-7H2,1H3,(H,9,10);2*1,3-8H2,2H3;/q;;;;+2/p-2
InChIKeyHURKFNQYPNXRLX-UHFFFAOYSA-L
XLogP10.86
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds30
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500695.70
LogP ≤ 510.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[(2-butylsulfanylacetyl)oxy-didodecylstannyl] 2-butylsulfanylacetate
CID 139785520
[dodecyl-bis[(2-hexylsulfanylacetyl)oxy]stannyl] 2-hexylsulfanylacetate
CID 139892339
tris[(2-hexadecylsulfanylacetyl)oxy]stannyl 2-hexadecylsulfanylacetate
CID 139725694
[butyl-bis[(2-octylsulfanylacetyl)oxy]stannyl] 2-octylsulfanylacetate
CID 139668459
[(2-methylsulfanylacetyl)oxy-dioctylstannyl] 2-methylsulfanylacetate
CID 139785507
[dodecanoyloxy(dihexyl)stannyl] dodecanoate
CID 16685116
[dodecanoyloxy(didodecyl)stannyl] dodecanoate
CID 16684517
methyl 2-hexylsulfanylacetate
CID 12820437
[didodecyl(3-oxopentanoyloxy)stannyl] 3-oxopentanoate
CID 139889435
[didodecyl(3-sulfanylpropanoyloxy)stannyl] 3-sulfanylpropanoate
CID 139668477
6-bromohexyl 2-tetradecylsulfanylacetate
CID 177036222
octyl 3-[3-[dibutyl-[3-(3-octoxy-3-oxopropyl)sulfanylpropanoyloxy]stannyl]oxy-3-oxopropyl]sulfanylpropanoate
CID 139716412

Frequently Asked Questions

What is the IUPAC name of [(2-hexylsulfanylacetyl)oxy-dioctylstannyl] 2-hexylsulfanylacetate?
The IUPAC name of [(2-hexylsulfanylacetyl)oxy-dioctylstannyl] 2-hexylsulfanylacetate (CID 139892414) is [(2-hexylsulfanylacetyl)oxy-dioctylstannyl] 2-hexylsulfanylacetate.
What is the SMILES notation for [(2-hexylsulfanylacetyl)oxy-dioctylstannyl] 2-hexylsulfanylacetate?
The canonical SMILES for [(2-hexylsulfanylacetyl)oxy-dioctylstannyl] 2-hexylsulfanylacetate is CCCCCCCC[Sn](CCCCCCCC)(OC(=O)CSCCCCCC)OC(=O)CSCCCCCC.
What is the InChIKey of [(2-hexylsulfanylacetyl)oxy-dioctylstannyl] 2-hexylsulfanylacetate?
The InChIKey is HURKFNQYPNXRLX-UHFFFAOYSA-L. The full InChI is InChI=1S/2C8H16O2S.2C8H17.Sn/c2*1-2-3-4-5-6-11-7-8(9)10;2*1-3-5-7-8-6-4-2;/h2*2-7H2,1H3,(H,9,10);2*1,3-8H2,2H3;/q;;;;+2/p-2.
What are the key properties of [(2-hexylsulfanylacetyl)oxy-dioctylstannyl] 2-hexylsulfanylacetate?
[(2-hexylsulfanylacetyl)oxy-dioctylstannyl] 2-hexylsulfanylacetate has a molecular weight of 695.70 g/mol, XLogP of 10.86, 30 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-hexylsulfanylacetyl)oxy-dioctylstannyl] 2-hexylsulfanylacetate is sourced from PubChem (CID 139892414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).