trimethyl-[1-[(E)-3-tributylstannylprop-2-enyl]cyclohexyl]oxysilane

C24H50OSiSn — CID 12786225

IUPACtrimethyl-[1-[(E)-3-tributylstannylprop-2-enyl]cyclohexyl]oxysilane
SMILESCCCC[Sn](/C=C/CC1(O[Si](C)(C)C)CCCCC1)(CCCC)CCCC
InChIInChI=1S/C12H23OSi.3C4H9.Sn/c1-5-9-12(13-14(2,3)4)10-7-6-8-11-12;3*1-3-4-2;/h1,5H,6-11H2,2-4H3;3*1,3-4H2,2H3;
InChIKeyMCRDQDFAMDUXOX-UHFFFAOYSA-N
MW501.46 g/mol
LogP8.88
Rot. Bonds14

About trimethyl-[1-[(E)-3-tributylstannylprop-2-enyl]cyclohexyl]oxysilane

trimethyl-[1-[(E)-3-tributylstannylprop-2-enyl]cyclohexyl]oxysilane (PubChem CID 12786225) has the molecular formula C24H50OSiSn and a molecular weight of 501.46 g/mol. Its IUPAC name is trimethyl-[1-[(E)-3-tributylstannylprop-2-enyl]cyclohexyl]oxysilane.

Molecular Properties

Compound Nametrimethyl-[1-[(E)-3-tributylstannylprop-2-enyl]cyclohexyl]oxysilane
PubChem CID12786225
Molecular FormulaC24H50OSiSn
Molecular Weight501.46 g/mol
Exact Mass502.27
IUPAC Nametrimethyl-[1-[(E)-3-tributylstannylprop-2-enyl]cyclohexyl]oxysilane
SMILESCCCC[Sn](/C=C/CC1(O[Si](C)(C)C)CCCCC1)(CCCC)CCCC
InChIInChI=1S/C12H23OSi.3C4H9.Sn/c1-5-9-12(13-14(2,3)4)10-7-6-8-11-12;3*1-3-4-2;/h1,5H,6-11H2,2-4H3;3*1,3-4H2,2H3;
InChIKeyMCRDQDFAMDUXOX-UHFFFAOYSA-N
XLogP8.88
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms27
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.46
LogP ≤ 58.88
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-[1-[(E)-3-tributylstannylprop-2-enyl]cyclohexyl]oxysilane?
The IUPAC name of trimethyl-[1-[(E)-3-tributylstannylprop-2-enyl]cyclohexyl]oxysilane (CID 12786225) is trimethyl-[1-[(E)-3-tributylstannylprop-2-enyl]cyclohexyl]oxysilane.
What is the SMILES notation for trimethyl-[1-[(E)-3-tributylstannylprop-2-enyl]cyclohexyl]oxysilane?
The canonical SMILES for trimethyl-[1-[(E)-3-tributylstannylprop-2-enyl]cyclohexyl]oxysilane is CCCC[Sn](/C=C/CC1(O[Si](C)(C)C)CCCCC1)(CCCC)CCCC.
What is the InChIKey of trimethyl-[1-[(E)-3-tributylstannylprop-2-enyl]cyclohexyl]oxysilane?
The InChIKey is MCRDQDFAMDUXOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23OSi.3C4H9.Sn/c1-5-9-12(13-14(2,3)4)10-7-6-8-11-12;3*1-3-4-2;/h1,5H,6-11H2,2-4H3;3*1,3-4H2,2H3;.
What are the key properties of trimethyl-[1-[(E)-3-tributylstannylprop-2-enyl]cyclohexyl]oxysilane?
trimethyl-[1-[(E)-3-tributylstannylprop-2-enyl]cyclohexyl]oxysilane has a molecular weight of 501.46 g/mol, XLogP of 8.88, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[1-[(E)-3-tributylstannylprop-2-enyl]cyclohexyl]oxysilane is sourced from PubChem (CID 12786225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).