trimethyl-[(E,4S)-4-methyl-1-tributylstannyloct-1-en-4-yl]oxysilane

C24H52OSiSn — CID 12893764

IUPACtrimethyl-[(E,4S)-4-methyl-1-tributylstannyloct-1-en-4-yl]oxysilane
SMILESCCCC[C@@](C)(C/C=C/[Sn](CCCC)(CCCC)CCCC)O[Si](C)(C)C
InChIInChI=1S/C12H25OSi.3C4H9.Sn/c1-7-9-11-12(3,10-8-2)13-14(4,5)6;3*1-3-4-2;/h2,8H,7,9-11H2,1,3-6H3;3*1,3-4H2,2H3;/t12-;;;;/m1..../s1
InChIKeyQPDPSYPQQVBCLH-HHUWXINPSA-N
MW503.48 g/mol
LogP9.12
Rot. Bonds17

About trimethyl-[(E,4S)-4-methyl-1-tributylstannyloct-1-en-4-yl]oxysilane

trimethyl-[(E,4S)-4-methyl-1-tributylstannyloct-1-en-4-yl]oxysilane (PubChem CID 12893764) has the molecular formula C24H52OSiSn and a molecular weight of 503.48 g/mol. Its IUPAC name is trimethyl-[(E,4S)-4-methyl-1-tributylstannyloct-1-en-4-yl]oxysilane.

Molecular Properties

Compound Nametrimethyl-[(E,4S)-4-methyl-1-tributylstannyloct-1-en-4-yl]oxysilane
PubChem CID12893764
Molecular FormulaC24H52OSiSn
Molecular Weight503.48 g/mol
Exact Mass504.28
IUPAC Nametrimethyl-[(E,4S)-4-methyl-1-tributylstannyloct-1-en-4-yl]oxysilane
SMILESCCCC[C@@](C)(C/C=C/[Sn](CCCC)(CCCC)CCCC)O[Si](C)(C)C
InChIInChI=1S/C12H25OSi.3C4H9.Sn/c1-7-9-11-12(3,10-8-2)13-14(4,5)6;3*1-3-4-2;/h2,8H,7,9-11H2,1,3-6H3;3*1,3-4H2,2H3;/t12-;;;;/m1..../s1
InChIKeyQPDPSYPQQVBCLH-HHUWXINPSA-N
XLogP9.12
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms27
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.48
LogP ≤ 59.12
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 trimethyl-[(E,4S)-4-methyl-1-tributylstannyloct-1-en-4-yl]oxysilane?
The IUPAC name of trimethyl-[(E,4S)-4-methyl-1-tributylstannyloct-1-en-4-yl]oxysilane (CID 12893764) is trimethyl-[(E,4S)-4-methyl-1-tributylstannyloct-1-en-4-yl]oxysilane.
What is the SMILES notation for trimethyl-[(E,4S)-4-methyl-1-tributylstannyloct-1-en-4-yl]oxysilane?
The canonical SMILES for trimethyl-[(E,4S)-4-methyl-1-tributylstannyloct-1-en-4-yl]oxysilane is CCCC[C@@](C)(C/C=C/[Sn](CCCC)(CCCC)CCCC)O[Si](C)(C)C.
What is the InChIKey of trimethyl-[(E,4S)-4-methyl-1-tributylstannyloct-1-en-4-yl]oxysilane?
The InChIKey is QPDPSYPQQVBCLH-HHUWXINPSA-N. The full InChI is InChI=1S/C12H25OSi.3C4H9.Sn/c1-7-9-11-12(3,10-8-2)13-14(4,5)6;3*1-3-4-2;/h2,8H,7,9-11H2,1,3-6H3;3*1,3-4H2,2H3;/t12-;;;;/m1..../s1.
What are the key properties of trimethyl-[(E,4S)-4-methyl-1-tributylstannyloct-1-en-4-yl]oxysilane?
trimethyl-[(E,4S)-4-methyl-1-tributylstannyloct-1-en-4-yl]oxysilane has a molecular weight of 503.48 g/mol, XLogP of 9.12, 17 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[(E,4S)-4-methyl-1-tributylstannyloct-1-en-4-yl]oxysilane is sourced from PubChem (CID 12893764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).