[(1Z,4E)-1-methoxy-5,9-dimethyl-2-(1-trimethylsilyloxyethenyl)deca-1,4,8-trienoxy]-trimethylsilane

C21H40O3Si2 — CID 10960279

IUPAC[(1Z,4E)-1-methoxy-5,9-dimethyl-2-(1-trimethylsilyloxyethenyl)deca-1,4,8-trienoxy]-trimethylsilane
SMILESC=C(O[Si](C)(C)C)/C(C/C=C(\C)CCC=C(C)C)=C(/OC)O[Si](C)(C)C
InChIInChI=1S/C21H40O3Si2/c1-17(2)13-12-14-18(3)15-16-20(19(4)23-25(6,7)8)21(22-5)24-26(9,10)11/h13,15H,4,12,14,16H2,1-3,5-11H3/b18-15+,21-20-
InChIKeyQJZBGBKKDPGWAU-MOOSWKITSA-N
MW396.72 g/mol
LogP7.14
Rot. Bonds11

About [(1Z,4E)-1-methoxy-5,9-dimethyl-2-(1-trimethylsilyloxyethenyl)deca-1,4,8-trienoxy]-trimethylsilane

[(1Z,4E)-1-methoxy-5,9-dimethyl-2-(1-trimethylsilyloxyethenyl)deca-1,4,8-trienoxy]-trimethylsilane (PubChem CID 10960279) has the molecular formula C21H40O3Si2 and a molecular weight of 396.72 g/mol. Its IUPAC name is [(1Z,4E)-1-methoxy-5,9-dimethyl-2-(1-trimethylsilyloxyethenyl)deca-1,4,8-trienoxy]-trimethylsilane.

Molecular Properties

Compound Name[(1Z,4E)-1-methoxy-5,9-dimethyl-2-(1-trimethylsilyloxyethenyl)deca-1,4,8-trienoxy]-trimethylsilane
PubChem CID10960279
Molecular FormulaC21H40O3Si2
Molecular Weight396.72 g/mol
Exact Mass396.25
IUPAC Name[(1Z,4E)-1-methoxy-5,9-dimethyl-2-(1-trimethylsilyloxyethenyl)deca-1,4,8-trienoxy]-trimethylsilane
SMILESC=C(O[Si](C)(C)C)/C(C/C=C(\C)CCC=C(C)C)=C(/OC)O[Si](C)(C)C
InChIInChI=1S/C21H40O3Si2/c1-17(2)13-12-14-18(3)15-16-20(19(4)23-25(6,7)8)21(22-5)24-26(9,10)11/h13,15H,4,12,14,16H2,1-3,5-11H3/b18-15+,21-20-
InChIKeyQJZBGBKKDPGWAU-MOOSWKITSA-N
XLogP7.14
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.72
LogP ≤ 57.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'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 [(1Z,4E)-1-methoxy-5,9-dimethyl-2-(1-trimethylsilyloxyethenyl)deca-1,4,8-trienoxy]-trimethylsilane?
The IUPAC name of [(1Z,4E)-1-methoxy-5,9-dimethyl-2-(1-trimethylsilyloxyethenyl)deca-1,4,8-trienoxy]-trimethylsilane (CID 10960279) is [(1Z,4E)-1-methoxy-5,9-dimethyl-2-(1-trimethylsilyloxyethenyl)deca-1,4,8-trienoxy]-trimethylsilane.
What is the SMILES notation for [(1Z,4E)-1-methoxy-5,9-dimethyl-2-(1-trimethylsilyloxyethenyl)deca-1,4,8-trienoxy]-trimethylsilane?
The canonical SMILES for [(1Z,4E)-1-methoxy-5,9-dimethyl-2-(1-trimethylsilyloxyethenyl)deca-1,4,8-trienoxy]-trimethylsilane is C=C(O[Si](C)(C)C)/C(C/C=C(\C)CCC=C(C)C)=C(/OC)O[Si](C)(C)C.
What is the InChIKey of [(1Z,4E)-1-methoxy-5,9-dimethyl-2-(1-trimethylsilyloxyethenyl)deca-1,4,8-trienoxy]-trimethylsilane?
The InChIKey is QJZBGBKKDPGWAU-MOOSWKITSA-N. The full InChI is InChI=1S/C21H40O3Si2/c1-17(2)13-12-14-18(3)15-16-20(19(4)23-25(6,7)8)21(22-5)24-26(9,10)11/h13,15H,4,12,14,16H2,1-3,5-11H3/b18-15+,21-20-.
What are the key properties of [(1Z,4E)-1-methoxy-5,9-dimethyl-2-(1-trimethylsilyloxyethenyl)deca-1,4,8-trienoxy]-trimethylsilane?
[(1Z,4E)-1-methoxy-5,9-dimethyl-2-(1-trimethylsilyloxyethenyl)deca-1,4,8-trienoxy]-trimethylsilane has a molecular weight of 396.72 g/mol, XLogP of 7.14, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1Z,4E)-1-methoxy-5,9-dimethyl-2-(1-trimethylsilyloxyethenyl)deca-1,4,8-trienoxy]-trimethylsilane is sourced from PubChem (CID 10960279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).