trimethyl-[(4S,5E)-2-(tributylstannylmethyl)octa-1,5,7-trien-4-yl]oxysilane

C24H48OSiSn — CID 10973130

IUPACtrimethyl-[(4S,5E)-2-(tributylstannylmethyl)octa-1,5,7-trien-4-yl]oxysilane
SMILESC=C/C=C/[C@H](CC(=C)C[Sn](CCCC)(CCCC)CCCC)O[Si](C)(C)C
InChIInChI=1S/C12H21OSi.3C4H9.Sn/c1-7-8-9-12(10-11(2)3)13-14(4,5)6;3*1-3-4-2;/h7-9,12H,1-3,10H2,4-6H3;3*1,3-4H2,2H3;/b9-8+;;;;/t12-;;;;/m1..../s1
InChIKeyHIDSSZDDTFPWPI-HRWSDQABSA-N
MW499.44 g/mol
LogP8.74
Rot. Bonds17

About trimethyl-[(4S,5E)-2-(tributylstannylmethyl)octa-1,5,7-trien-4-yl]oxysilane

trimethyl-[(4S,5E)-2-(tributylstannylmethyl)octa-1,5,7-trien-4-yl]oxysilane (PubChem CID 10973130) has the molecular formula C24H48OSiSn and a molecular weight of 499.44 g/mol. Its IUPAC name is trimethyl-[(4S,5E)-2-(tributylstannylmethyl)octa-1,5,7-trien-4-yl]oxysilane.

Molecular Properties

Compound Nametrimethyl-[(4S,5E)-2-(tributylstannylmethyl)octa-1,5,7-trien-4-yl]oxysilane
PubChem CID10973130
Molecular FormulaC24H48OSiSn
Molecular Weight499.44 g/mol
Exact Mass500.25
IUPAC Nametrimethyl-[(4S,5E)-2-(tributylstannylmethyl)octa-1,5,7-trien-4-yl]oxysilane
SMILESC=C/C=C/[C@H](CC(=C)C[Sn](CCCC)(CCCC)CCCC)O[Si](C)(C)C
InChIInChI=1S/C12H21OSi.3C4H9.Sn/c1-7-8-9-12(10-11(2)3)13-14(4,5)6;3*1-3-4-2;/h7-9,12H,1-3,10H2,4-6H3;3*1,3-4H2,2H3;/b9-8+;;;;/t12-;;;;/m1..../s1
InChIKeyHIDSSZDDTFPWPI-HRWSDQABSA-N
XLogP8.74
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.44
LogP ≤ 58.74
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of trimethyl-[(4S,5E)-2-(tributylstannylmethyl)octa-1,5,7-trien-4-yl]oxysilane?
The IUPAC name of trimethyl-[(4S,5E)-2-(tributylstannylmethyl)octa-1,5,7-trien-4-yl]oxysilane (CID 10973130) is trimethyl-[(4S,5E)-2-(tributylstannylmethyl)octa-1,5,7-trien-4-yl]oxysilane.
What is the SMILES notation for trimethyl-[(4S,5E)-2-(tributylstannylmethyl)octa-1,5,7-trien-4-yl]oxysilane?
The canonical SMILES for trimethyl-[(4S,5E)-2-(tributylstannylmethyl)octa-1,5,7-trien-4-yl]oxysilane is C=C/C=C/[C@H](CC(=C)C[Sn](CCCC)(CCCC)CCCC)O[Si](C)(C)C.
What is the InChIKey of trimethyl-[(4S,5E)-2-(tributylstannylmethyl)octa-1,5,7-trien-4-yl]oxysilane?
The InChIKey is HIDSSZDDTFPWPI-HRWSDQABSA-N. The full InChI is InChI=1S/C12H21OSi.3C4H9.Sn/c1-7-8-9-12(10-11(2)3)13-14(4,5)6;3*1-3-4-2;/h7-9,12H,1-3,10H2,4-6H3;3*1,3-4H2,2H3;/b9-8+;;;;/t12-;;;;/m1..../s1.
What are the key properties of trimethyl-[(4S,5E)-2-(tributylstannylmethyl)octa-1,5,7-trien-4-yl]oxysilane?
trimethyl-[(4S,5E)-2-(tributylstannylmethyl)octa-1,5,7-trien-4-yl]oxysilane has a molecular weight of 499.44 g/mol, XLogP of 8.74, 17 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[(4S,5E)-2-(tributylstannylmethyl)octa-1,5,7-trien-4-yl]oxysilane is sourced from PubChem (CID 10973130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).