ethenylstannane;5-methyl-8-tributylstannyl-5-trimethylsilyloxyoct-7-ene-2-sulfonic acid

C26H58O4SSiSn2 — CID 173440768

IUPACethenylstannane;5-methyl-8-tributylstannyl-5-trimethylsilyloxyoct-7-ene-2-sulfonic acid
SMILESC=C[SnH3].CCCC[Sn](C=CCC(C)(CCC(C)S(=O)(=O)O)O[Si](C)(C)C)(CCCC)CCCC
InChIInChI=1S/C12H25O4SSi.3C4H9.C2H3.2Sn.3H/c1-7-9-12(3,16-18(4,5)6)10-8-11(2)17(13,14)15;3*1-3-4-2;1-2;;;;;/h1,7,11H,8-10H2,2-6H3,(H,13,14,15);3*1,3-4H2,2H3;1H,2H2;;;;;
InChIKeyNXZRXGXEHZJZIG-UHFFFAOYSA-N
MW732.32 g/mol
LogP7.48
Rot. Bonds18

About ethenylstannane;5-methyl-8-tributylstannyl-5-trimethylsilyloxyoct-7-ene-2-sulfonic acid

ethenylstannane;5-methyl-8-tributylstannyl-5-trimethylsilyloxyoct-7-ene-2-sulfonic acid (PubChem CID 173440768) has the molecular formula C26H58O4SSiSn2 and a molecular weight of 732.32 g/mol. Its IUPAC name is ethenylstannane;5-methyl-8-tributylstannyl-5-trimethylsilyloxyoct-7-ene-2-sulfonic acid.

Molecular Properties

Compound Nameethenylstannane;5-methyl-8-tributylstannyl-5-trimethylsilyloxyoct-7-ene-2-sulfonic acid
PubChem CID173440768
Molecular FormulaC26H58O4SSiSn2
Molecular Weight732.32 g/mol
Exact Mass734.19
IUPAC Nameethenylstannane;5-methyl-8-tributylstannyl-5-trimethylsilyloxyoct-7-ene-2-sulfonic acid
SMILESC=C[SnH3].CCCC[Sn](C=CCC(C)(CCC(C)S(=O)(=O)O)O[Si](C)(C)C)(CCCC)CCCC
InChIInChI=1S/C12H25O4SSi.3C4H9.C2H3.2Sn.3H/c1-7-9-12(3,16-18(4,5)6)10-8-11(2)17(13,14)15;3*1-3-4-2;1-2;;;;;/h1,7,11H,8-10H2,2-6H3,(H,13,14,15);3*1,3-4H2,2H3;1H,2H2;;;;;
InChIKeyNXZRXGXEHZJZIG-UHFFFAOYSA-N
XLogP7.48
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500732.32
LogP ≤ 57.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

trimethyl-[(1E,5E)-4-methyl-1-tributylstannylocta-1,5-dien-4-yl]oxysilane
CID 23331458
[(E)-4-(dimethoxymethyl)-1-tributylstannyloct-1-en-4-yl]oxy-trimethylsilane
CID 12786207
(4S)-4-methyl-1-tributylstannyloct-1-en-4-ol
CID 173361577
(E,4S)-4-methyl-1-tributylstannyloct-1-en-4-ol
CID 14248080
trimethyl-[(Z)-5-methylnon-2-en-5-yl]oxysilane
CID 161469937
dodecane-2-sulfonic acid
CID 18963549
pentadecane-2-sulfonic acid
CID 22415353
trimethyl-[(E)-1-tributylstannyloct-1-en-3-yl]oxysilane
CID 19846630
tert-butyl-dimethyl-[(3R)-1-tributylstannyloct-1-en-3-yl]oxysilane
CID 173153144
tributyl-[(Z)-2-tributylstannylethenyl]stannane
CID 12858946
tributyl-[(1E)-4-methylpenta-1,4-dienyl]stannane
CID 11257245
(E)-4-tributylstannylbut-3-enoic acid
CID 11767530

Frequently Asked Questions

What is the IUPAC name of ethenylstannane;5-methyl-8-tributylstannyl-5-trimethylsilyloxyoct-7-ene-2-sulfonic acid?
The IUPAC name of ethenylstannane;5-methyl-8-tributylstannyl-5-trimethylsilyloxyoct-7-ene-2-sulfonic acid (CID 173440768) is ethenylstannane;5-methyl-8-tributylstannyl-5-trimethylsilyloxyoct-7-ene-2-sulfonic acid.
What is the SMILES notation for ethenylstannane;5-methyl-8-tributylstannyl-5-trimethylsilyloxyoct-7-ene-2-sulfonic acid?
The canonical SMILES for ethenylstannane;5-methyl-8-tributylstannyl-5-trimethylsilyloxyoct-7-ene-2-sulfonic acid is C=C[SnH3].CCCC[Sn](C=CCC(C)(CCC(C)S(=O)(=O)O)O[Si](C)(C)C)(CCCC)CCCC.
What is the InChIKey of ethenylstannane;5-methyl-8-tributylstannyl-5-trimethylsilyloxyoct-7-ene-2-sulfonic acid?
The InChIKey is NXZRXGXEHZJZIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25O4SSi.3C4H9.C2H3.2Sn.3H/c1-7-9-12(3,16-18(4,5)6)10-8-11(2)17(13,14)15;3*1-3-4-2;1-2;;;;;/h1,7,11H,8-10H2,2-6H3,(H,13,14,15);3*1,3-4H2,2H3;1H,2H2;;;;;.
What are the key properties of ethenylstannane;5-methyl-8-tributylstannyl-5-trimethylsilyloxyoct-7-ene-2-sulfonic acid?
ethenylstannane;5-methyl-8-tributylstannyl-5-trimethylsilyloxyoct-7-ene-2-sulfonic acid has a molecular weight of 732.32 g/mol, XLogP of 7.48, 18 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethenylstannane;5-methyl-8-tributylstannyl-5-trimethylsilyloxyoct-7-ene-2-sulfonic acid is sourced from PubChem (CID 173440768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).