triethyl-[(1E,5E)-1-tributylstannylnona-1,5-dien-4-yl]oxysilane

C27H56OSiSn — CID 23331460

IUPACtriethyl-[(1E,5E)-1-tributylstannylnona-1,5-dien-4-yl]oxysilane
SMILESCCC/C=C/C(C/C=C/[Sn](CCCC)(CCCC)CCCC)O[Si](CC)(CC)CC
InChIInChI=1S/C15H29OSi.3C4H9.Sn/c1-6-11-12-14-15(13-7-2)16-17(8-3,9-4)10-5;3*1-3-4-2;/h2,7,12,14-15H,6,8-11,13H2,1,3-5H3;3*1,3-4H2,2H3;/b7-2?,14-12+;;;;
InChIKeyVDYXAFJLVINNMH-IGEFBRDZSA-N
MW543.54 g/mol
LogP10.07
Rot. Bonds20

About triethyl-[(1E,5E)-1-tributylstannylnona-1,5-dien-4-yl]oxysilane

triethyl-[(1E,5E)-1-tributylstannylnona-1,5-dien-4-yl]oxysilane (PubChem CID 23331460) has the molecular formula C27H56OSiSn and a molecular weight of 543.54 g/mol. Its IUPAC name is triethyl-[(1E,5E)-1-tributylstannylnona-1,5-dien-4-yl]oxysilane.

Molecular Properties

Compound Nametriethyl-[(1E,5E)-1-tributylstannylnona-1,5-dien-4-yl]oxysilane
PubChem CID23331460
Molecular FormulaC27H56OSiSn
Molecular Weight543.54 g/mol
Exact Mass544.31
IUPAC Nametriethyl-[(1E,5E)-1-tributylstannylnona-1,5-dien-4-yl]oxysilane
SMILESCCC/C=C/C(C/C=C/[Sn](CCCC)(CCCC)CCCC)O[Si](CC)(CC)CC
InChIInChI=1S/C15H29OSi.3C4H9.Sn/c1-6-11-12-14-15(13-7-2)16-17(8-3,9-4)10-5;3*1-3-4-2;/h2,7,12,14-15H,6,8-11,13H2,1,3-5H3;3*1,3-4H2,2H3;/b7-2?,14-12+;;;;
InChIKeyVDYXAFJLVINNMH-IGEFBRDZSA-N
XLogP10.07
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds20
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.54
LogP ≤ 510.07
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 triethyl-[(1E,5E)-1-tributylstannylnona-1,5-dien-4-yl]oxysilane?
The IUPAC name of triethyl-[(1E,5E)-1-tributylstannylnona-1,5-dien-4-yl]oxysilane (CID 23331460) is triethyl-[(1E,5E)-1-tributylstannylnona-1,5-dien-4-yl]oxysilane.
What is the SMILES notation for triethyl-[(1E,5E)-1-tributylstannylnona-1,5-dien-4-yl]oxysilane?
The canonical SMILES for triethyl-[(1E,5E)-1-tributylstannylnona-1,5-dien-4-yl]oxysilane is CCC/C=C/C(C/C=C/[Sn](CCCC)(CCCC)CCCC)O[Si](CC)(CC)CC.
What is the InChIKey of triethyl-[(1E,5E)-1-tributylstannylnona-1,5-dien-4-yl]oxysilane?
The InChIKey is VDYXAFJLVINNMH-IGEFBRDZSA-N. The full InChI is InChI=1S/C15H29OSi.3C4H9.Sn/c1-6-11-12-14-15(13-7-2)16-17(8-3,9-4)10-5;3*1-3-4-2;/h2,7,12,14-15H,6,8-11,13H2,1,3-5H3;3*1,3-4H2,2H3;/b7-2?,14-12+;;;;.
What are the key properties of triethyl-[(1E,5E)-1-tributylstannylnona-1,5-dien-4-yl]oxysilane?
triethyl-[(1E,5E)-1-tributylstannylnona-1,5-dien-4-yl]oxysilane has a molecular weight of 543.54 g/mol, XLogP of 10.07, 20 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-[(1E,5E)-1-tributylstannylnona-1,5-dien-4-yl]oxysilane is sourced from PubChem (CID 23331460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).