trimethyl-[(4-tributylstannyl-3-bicyclo[4.2.0]octa-1,3,5-trienyl)methoxy]silane

C24H44OSiSn — CID 11027429

IUPACtrimethyl-[(4-tributylstannyl-3-bicyclo[4.2.0]octa-1,3,5-trienyl)methoxy]silane
SMILESCCCC[Sn](CCCC)(CCCC)c1cc2c(cc1CO[Si](C)(C)C)CC2
InChIInChI=1S/C12H17OSi.3C4H9.Sn/c1-14(2,3)13-9-10-4-5-11-6-7-12(11)8-10;3*1-3-4-2;/h5,8H,6-7,9H2,1-3H3;3*1,3-4H2,2H3;
InChIKeyNEBCIIVERVVQPI-UHFFFAOYSA-N
MW495.41 g/mol
LogP7.19
Rot. Bonds13

About trimethyl-[(4-tributylstannyl-3-bicyclo[4.2.0]octa-1,3,5-trienyl)methoxy]silane

trimethyl-[(4-tributylstannyl-3-bicyclo[4.2.0]octa-1,3,5-trienyl)methoxy]silane (PubChem CID 11027429) has the molecular formula C24H44OSiSn and a molecular weight of 495.41 g/mol. Its IUPAC name is trimethyl-[(4-tributylstannyl-3-bicyclo[4.2.0]octa-1,3,5-trienyl)methoxy]silane.

Molecular Properties

Compound Nametrimethyl-[(4-tributylstannyl-3-bicyclo[4.2.0]octa-1,3,5-trienyl)methoxy]silane
PubChem CID11027429
Molecular FormulaC24H44OSiSn
Molecular Weight495.41 g/mol
Exact Mass496.22
IUPAC Nametrimethyl-[(4-tributylstannyl-3-bicyclo[4.2.0]octa-1,3,5-trienyl)methoxy]silane
SMILESCCCC[Sn](CCCC)(CCCC)c1cc2c(cc1CO[Si](C)(C)C)CC2
InChIInChI=1S/C12H17OSi.3C4H9.Sn/c1-14(2,3)13-9-10-4-5-11-6-7-12(11)8-10;3*1-3-4-2;/h5,8H,6-7,9H2,1-3H3;3*1,3-4H2,2H3;
InChIKeyNEBCIIVERVVQPI-UHFFFAOYSA-N
XLogP7.19
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.41
LogP ≤ 57.19
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-[(4-tributylstannyl-3-bicyclo[4.2.0]octa-1,3,5-trienyl)methoxy]silane?
The IUPAC name of trimethyl-[(4-tributylstannyl-3-bicyclo[4.2.0]octa-1,3,5-trienyl)methoxy]silane (CID 11027429) is trimethyl-[(4-tributylstannyl-3-bicyclo[4.2.0]octa-1,3,5-trienyl)methoxy]silane.
What is the SMILES notation for trimethyl-[(4-tributylstannyl-3-bicyclo[4.2.0]octa-1,3,5-trienyl)methoxy]silane?
The canonical SMILES for trimethyl-[(4-tributylstannyl-3-bicyclo[4.2.0]octa-1,3,5-trienyl)methoxy]silane is CCCC[Sn](CCCC)(CCCC)c1cc2c(cc1CO[Si](C)(C)C)CC2.
What is the InChIKey of trimethyl-[(4-tributylstannyl-3-bicyclo[4.2.0]octa-1,3,5-trienyl)methoxy]silane?
The InChIKey is NEBCIIVERVVQPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17OSi.3C4H9.Sn/c1-14(2,3)13-9-10-4-5-11-6-7-12(11)8-10;3*1-3-4-2;/h5,8H,6-7,9H2,1-3H3;3*1,3-4H2,2H3;.
What are the key properties of trimethyl-[(4-tributylstannyl-3-bicyclo[4.2.0]octa-1,3,5-trienyl)methoxy]silane?
trimethyl-[(4-tributylstannyl-3-bicyclo[4.2.0]octa-1,3,5-trienyl)methoxy]silane has a molecular weight of 495.41 g/mol, XLogP of 7.19, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[(4-tributylstannyl-3-bicyclo[4.2.0]octa-1,3,5-trienyl)methoxy]silane is sourced from PubChem (CID 11027429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).