trimethyl-[(E)-1-tributylstannyl-4-(trifluoromethyl)oct-1-en-4-yl]oxysilane

C24H49F3OSiSn — CID 12786209

IUPACtrimethyl-[(E)-1-tributylstannyl-4-(trifluoromethyl)oct-1-en-4-yl]oxysilane
SMILESCCCCC(C/C=C/[Sn](CCCC)(CCCC)CCCC)(O[Si](C)(C)C)C(F)(F)F
InChIInChI=1S/C12H22F3OSi.3C4H9.Sn/c1-6-8-10-11(9-7-2,12(13,14)15)16-17(3,4)5;3*1-3-4-2;/h2,7H,6,8-10H2,1,3-5H3;3*1,3-4H2,2H3;
InChIKeyWZTUCECHHWSERD-UHFFFAOYSA-N
MW557.45 g/mol
LogP9.66
Rot. Bonds17

About trimethyl-[(E)-1-tributylstannyl-4-(trifluoromethyl)oct-1-en-4-yl]oxysilane

trimethyl-[(E)-1-tributylstannyl-4-(trifluoromethyl)oct-1-en-4-yl]oxysilane (PubChem CID 12786209) has the molecular formula C24H49F3OSiSn and a molecular weight of 557.45 g/mol. Its IUPAC name is trimethyl-[(E)-1-tributylstannyl-4-(trifluoromethyl)oct-1-en-4-yl]oxysilane.

Molecular Properties

Compound Nametrimethyl-[(E)-1-tributylstannyl-4-(trifluoromethyl)oct-1-en-4-yl]oxysilane
PubChem CID12786209
Molecular FormulaC24H49F3OSiSn
Molecular Weight557.45 g/mol
Exact Mass558.25
IUPAC Nametrimethyl-[(E)-1-tributylstannyl-4-(trifluoromethyl)oct-1-en-4-yl]oxysilane
SMILESCCCCC(C/C=C/[Sn](CCCC)(CCCC)CCCC)(O[Si](C)(C)C)C(F)(F)F
InChIInChI=1S/C12H22F3OSi.3C4H9.Sn/c1-6-8-10-11(9-7-2,12(13,14)15)16-17(3,4)5;3*1-3-4-2;/h2,7H,6,8-10H2,1,3-5H3;3*1,3-4H2,2H3;
InChIKeyWZTUCECHHWSERD-UHFFFAOYSA-N
XLogP9.66
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500557.45
LogP ≤ 59.66
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)-1-tributylstannyl-4-(trifluoromethyl)oct-1-en-4-yl]oxysilane?
The IUPAC name of trimethyl-[(E)-1-tributylstannyl-4-(trifluoromethyl)oct-1-en-4-yl]oxysilane (CID 12786209) is trimethyl-[(E)-1-tributylstannyl-4-(trifluoromethyl)oct-1-en-4-yl]oxysilane.
What is the SMILES notation for trimethyl-[(E)-1-tributylstannyl-4-(trifluoromethyl)oct-1-en-4-yl]oxysilane?
The canonical SMILES for trimethyl-[(E)-1-tributylstannyl-4-(trifluoromethyl)oct-1-en-4-yl]oxysilane is CCCCC(C/C=C/[Sn](CCCC)(CCCC)CCCC)(O[Si](C)(C)C)C(F)(F)F.
What is the InChIKey of trimethyl-[(E)-1-tributylstannyl-4-(trifluoromethyl)oct-1-en-4-yl]oxysilane?
The InChIKey is WZTUCECHHWSERD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3OSi.3C4H9.Sn/c1-6-8-10-11(9-7-2,12(13,14)15)16-17(3,4)5;3*1-3-4-2;/h2,7H,6,8-10H2,1,3-5H3;3*1,3-4H2,2H3;.
What are the key properties of trimethyl-[(E)-1-tributylstannyl-4-(trifluoromethyl)oct-1-en-4-yl]oxysilane?
trimethyl-[(E)-1-tributylstannyl-4-(trifluoromethyl)oct-1-en-4-yl]oxysilane has a molecular weight of 557.45 g/mol, XLogP of 9.66, 17 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[(E)-1-tributylstannyl-4-(trifluoromethyl)oct-1-en-4-yl]oxysilane is sourced from PubChem (CID 12786209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).