triethyl-[(1E,5E)-1-tributylstannylocta-1,5-dien-4-yl]oxysilane

C26H54OSiSn — CID 163558339

IUPACtriethyl-[(1E,5E)-1-tributylstannylocta-1,5-dien-4-yl]oxysilane
SMILESCC/C=C/C(C/C=C/[Sn](CCCC)(CCCC)CCCC)O[Si](CC)(CC)CC
InChIInChI=1S/C14H27OSi.3C4H9.Sn/c1-6-11-13-14(12-7-2)15-16(8-3,9-4)10-5;3*1-3-4-2;/h2,7,11,13-14H,6,8-10,12H2,1,3-5H3;3*1,3-4H2,2H3;/b7-2?,13-11+;;;;
InChIKeyFPAQDDWORAPNCS-LQRQQSBFSA-N
MW529.51 g/mol
LogP9.68
Rot. Bonds19

About triethyl-[(1E,5E)-1-tributylstannylocta-1,5-dien-4-yl]oxysilane

triethyl-[(1E,5E)-1-tributylstannylocta-1,5-dien-4-yl]oxysilane (PubChem CID 163558339) has the molecular formula C26H54OSiSn and a molecular weight of 529.51 g/mol. Its IUPAC name is triethyl-[(1E,5E)-1-tributylstannylocta-1,5-dien-4-yl]oxysilane.

Molecular Properties

Compound Nametriethyl-[(1E,5E)-1-tributylstannylocta-1,5-dien-4-yl]oxysilane
PubChem CID163558339
Molecular FormulaC26H54OSiSn
Molecular Weight529.51 g/mol
Exact Mass530.30
IUPAC Nametriethyl-[(1E,5E)-1-tributylstannylocta-1,5-dien-4-yl]oxysilane
SMILESCC/C=C/C(C/C=C/[Sn](CCCC)(CCCC)CCCC)O[Si](CC)(CC)CC
InChIInChI=1S/C14H27OSi.3C4H9.Sn/c1-6-11-13-14(12-7-2)15-16(8-3,9-4)10-5;3*1-3-4-2;/h2,7,11,13-14H,6,8-10,12H2,1,3-5H3;3*1,3-4H2,2H3;/b7-2?,13-11+;;;;
InChIKeyFPAQDDWORAPNCS-LQRQQSBFSA-N
XLogP9.68
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds19
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.51
LogP ≤ 59.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-Trimethylsiloxy-1,5-heptadiene
CID 140330532
tert-butyl-[(2E,6E)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylocta-2,6-dienoxy]-dimethylsilane
CID 5387042
Trimethyl[(pent-3-en-2-yl)oxy]silane
CID 57043187
2-Triisobutylsilyloxyoct-3-ene
CID 5353180
2-Trimethylsilyloxyoct-3-ene
CID 5353183
2-Dimethylisopropylsilyloxyoct-3-ene
CID 5353187
2-Dimethyloctylsilyloxyoct-3-ene
CID 5353190
2-Tripropylsilyloxyoct-3-ene
CID 5353192
2-Trihexylsilyloxyoct-3-ene
CID 5353195
2-Butyldimethylsilyloxyoct-3-ene
CID 5353198
2-Tributylsilyloxyoct-3-ene
CID 5353200
2-Dimethyldodecylsilyloxyoct-3-ene
CID 5353202

Frequently Asked Questions

What is the IUPAC name of triethyl-[(1E,5E)-1-tributylstannylocta-1,5-dien-4-yl]oxysilane?
The IUPAC name of triethyl-[(1E,5E)-1-tributylstannylocta-1,5-dien-4-yl]oxysilane (CID 163558339) is triethyl-[(1E,5E)-1-tributylstannylocta-1,5-dien-4-yl]oxysilane.
What is the SMILES notation for triethyl-[(1E,5E)-1-tributylstannylocta-1,5-dien-4-yl]oxysilane?
The canonical SMILES for triethyl-[(1E,5E)-1-tributylstannylocta-1,5-dien-4-yl]oxysilane is CC/C=C/C(C/C=C/[Sn](CCCC)(CCCC)CCCC)O[Si](CC)(CC)CC.
What is the InChIKey of triethyl-[(1E,5E)-1-tributylstannylocta-1,5-dien-4-yl]oxysilane?
The InChIKey is FPAQDDWORAPNCS-LQRQQSBFSA-N. The full InChI is InChI=1S/C14H27OSi.3C4H9.Sn/c1-6-11-13-14(12-7-2)15-16(8-3,9-4)10-5;3*1-3-4-2;/h2,7,11,13-14H,6,8-10,12H2,1,3-5H3;3*1,3-4H2,2H3;/b7-2?,13-11+;;;;.
What are the key properties of triethyl-[(1E,5E)-1-tributylstannylocta-1,5-dien-4-yl]oxysilane?
triethyl-[(1E,5E)-1-tributylstannylocta-1,5-dien-4-yl]oxysilane has a molecular weight of 529.51 g/mol, XLogP of 9.68, 19 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-[(1E,5E)-1-tributylstannylocta-1,5-dien-4-yl]oxysilane is sourced from PubChem (CID 163558339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).