[(E)-4-cyclopropyl-1-tributylstannyloct-1-en-4-yl]oxy-trimethylsilane

C26H54OSiSn — CID 12800305

IUPAC[(E)-4-cyclopropyl-1-tributylstannyloct-1-en-4-yl]oxy-trimethylsilane
SMILESCCCCC(C/C=C/[Sn](CCCC)(CCCC)CCCC)(O[Si](C)(C)C)C1CC1
InChIInChI=1S/C14H27OSi.3C4H9.Sn/c1-6-8-12-14(11-7-2,13-9-10-13)15-16(3,4)5;3*1-3-4-2;/h2,7,13H,6,8-12H2,1,3-5H3;3*1,3-4H2,2H3;
InChIKeyGCGMKUKGWXWETB-UHFFFAOYSA-N
MW529.51 g/mol
LogP9.51
Rot. Bonds18

About [(E)-4-cyclopropyl-1-tributylstannyloct-1-en-4-yl]oxy-trimethylsilane

[(E)-4-cyclopropyl-1-tributylstannyloct-1-en-4-yl]oxy-trimethylsilane (PubChem CID 12800305) has the molecular formula C26H54OSiSn and a molecular weight of 529.51 g/mol. Its IUPAC name is [(E)-4-cyclopropyl-1-tributylstannyloct-1-en-4-yl]oxy-trimethylsilane.

Molecular Properties

Compound Name[(E)-4-cyclopropyl-1-tributylstannyloct-1-en-4-yl]oxy-trimethylsilane
PubChem CID12800305
Molecular FormulaC26H54OSiSn
Molecular Weight529.51 g/mol
Exact Mass530.30
IUPAC Name[(E)-4-cyclopropyl-1-tributylstannyloct-1-en-4-yl]oxy-trimethylsilane
SMILESCCCCC(C/C=C/[Sn](CCCC)(CCCC)CCCC)(O[Si](C)(C)C)C1CC1
InChIInChI=1S/C14H27OSi.3C4H9.Sn/c1-6-8-12-14(11-7-2,13-9-10-13)15-16(3,4)5;3*1-3-4-2;/h2,7,13H,6,8-12H2,1,3-5H3;3*1,3-4H2,2H3;
InChIKeyGCGMKUKGWXWETB-UHFFFAOYSA-N
XLogP9.51
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds18
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.51
LogP ≤ 59.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(E)-4-cyclopropyl-1-tributylstannyloct-1-en-4-yl]oxy-trimethylsilane?
The IUPAC name of [(E)-4-cyclopropyl-1-tributylstannyloct-1-en-4-yl]oxy-trimethylsilane (CID 12800305) is [(E)-4-cyclopropyl-1-tributylstannyloct-1-en-4-yl]oxy-trimethylsilane.
What is the SMILES notation for [(E)-4-cyclopropyl-1-tributylstannyloct-1-en-4-yl]oxy-trimethylsilane?
The canonical SMILES for [(E)-4-cyclopropyl-1-tributylstannyloct-1-en-4-yl]oxy-trimethylsilane is CCCCC(C/C=C/[Sn](CCCC)(CCCC)CCCC)(O[Si](C)(C)C)C1CC1.
What is the InChIKey of [(E)-4-cyclopropyl-1-tributylstannyloct-1-en-4-yl]oxy-trimethylsilane?
The InChIKey is GCGMKUKGWXWETB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27OSi.3C4H9.Sn/c1-6-8-12-14(11-7-2,13-9-10-13)15-16(3,4)5;3*1-3-4-2;/h2,7,13H,6,8-12H2,1,3-5H3;3*1,3-4H2,2H3;.
What are the key properties of [(E)-4-cyclopropyl-1-tributylstannyloct-1-en-4-yl]oxy-trimethylsilane?
[(E)-4-cyclopropyl-1-tributylstannyloct-1-en-4-yl]oxy-trimethylsilane has a molecular weight of 529.51 g/mol, XLogP of 9.51, 18 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-4-cyclopropyl-1-tributylstannyloct-1-en-4-yl]oxy-trimethylsilane is sourced from PubChem (CID 12800305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).