tert-butyl-dimethyl-[(E,1S)-1-tributylstannylpent-2-enoxy]silane

C23H50OSiSn — CID 10601098

IUPACtert-butyl-dimethyl-[(E,1S)-1-tributylstannylpent-2-enoxy]silane
SMILESCC/C=C/[C@@H](O[Si](C)(C)C(C)(C)C)[Sn](CCCC)(CCCC)CCCC
InChIInChI=1S/C11H23OSi.3C4H9.Sn/c1-7-8-9-10-12-13(5,6)11(2,3)4;3*1-3-4-2;/h8-10H,7H2,1-6H3;3*1,3-4H2,2H3;/b9-8+;;;;
InChIKeyHOSQOIPQYVOTMX-HUMMXKGPSA-N
MW489.45 g/mol
LogP8.73
Rot. Bonds14

About tert-butyl-dimethyl-[(E,1S)-1-tributylstannylpent-2-enoxy]silane

tert-butyl-dimethyl-[(E,1S)-1-tributylstannylpent-2-enoxy]silane (PubChem CID 10601098) has the molecular formula C23H50OSiSn and a molecular weight of 489.45 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(E,1S)-1-tributylstannylpent-2-enoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(E,1S)-1-tributylstannylpent-2-enoxy]silane
PubChem CID10601098
Molecular FormulaC23H50OSiSn
Molecular Weight489.45 g/mol
Exact Mass490.27
IUPAC Nametert-butyl-dimethyl-[(E,1S)-1-tributylstannylpent-2-enoxy]silane
SMILESCC/C=C/[C@@H](O[Si](C)(C)C(C)(C)C)[Sn](CCCC)(CCCC)CCCC
InChIInChI=1S/C11H23OSi.3C4H9.Sn/c1-7-8-9-10-12-13(5,6)11(2,3)4;3*1-3-4-2;/h8-10H,7H2,1-6H3;3*1,3-4H2,2H3;/b9-8+;;;;
InChIKeyHOSQOIPQYVOTMX-HUMMXKGPSA-N
XLogP8.73
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.45
LogP ≤ 58.73
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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Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(E,1S)-1-tributylstannylpent-2-enoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[(E,1S)-1-tributylstannylpent-2-enoxy]silane (CID 10601098) is tert-butyl-dimethyl-[(E,1S)-1-tributylstannylpent-2-enoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[(E,1S)-1-tributylstannylpent-2-enoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[(E,1S)-1-tributylstannylpent-2-enoxy]silane is CC/C=C/[C@@H](O[Si](C)(C)C(C)(C)C)[Sn](CCCC)(CCCC)CCCC.
What is the InChIKey of tert-butyl-dimethyl-[(E,1S)-1-tributylstannylpent-2-enoxy]silane?
The InChIKey is HOSQOIPQYVOTMX-HUMMXKGPSA-N. The full InChI is InChI=1S/C11H23OSi.3C4H9.Sn/c1-7-8-9-10-12-13(5,6)11(2,3)4;3*1-3-4-2;/h8-10H,7H2,1-6H3;3*1,3-4H2,2H3;/b9-8+;;;;.
What are the key properties of tert-butyl-dimethyl-[(E,1S)-1-tributylstannylpent-2-enoxy]silane?
tert-butyl-dimethyl-[(E,1S)-1-tributylstannylpent-2-enoxy]silane has a molecular weight of 489.45 g/mol, XLogP of 8.73, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(E,1S)-1-tributylstannylpent-2-enoxy]silane is sourced from PubChem (CID 10601098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).