trimethyl-[(1Z,3E)-4-[(2-methylpropan-2-yl)oxy]-1-phenylmethoxybuta-1,3-dien-2-yl]oxysilane

C18H28O3Si — CID 11484052

IUPACtrimethyl-[(1Z,3E)-4-[(2-methylpropan-2-yl)oxy]-1-phenylmethoxybuta-1,3-dien-2-yl]oxysilane
SMILESCC(C)(C)O/C=C/C(=C/OCc1ccccc1)O[Si](C)(C)C
InChIInChI=1S/C18H28O3Si/c1-18(2,3)20-13-12-17(21-22(4,5)6)15-19-14-16-10-8-7-9-11-16/h7-13,15H,14H2,1-6H3/b13-12+,17-15-
InChIKeyTVUPXXNKRVGYOY-WLCJKZAOSA-N
MW320.50 g/mol
LogP5.22
Rot. Bonds7

About trimethyl-[(1Z,3E)-4-[(2-methylpropan-2-yl)oxy]-1-phenylmethoxybuta-1,3-dien-2-yl]oxysilane

trimethyl-[(1Z,3E)-4-[(2-methylpropan-2-yl)oxy]-1-phenylmethoxybuta-1,3-dien-2-yl]oxysilane (PubChem CID 11484052) has the molecular formula C18H28O3Si and a molecular weight of 320.50 g/mol. Its IUPAC name is trimethyl-[(1Z,3E)-4-[(2-methylpropan-2-yl)oxy]-1-phenylmethoxybuta-1,3-dien-2-yl]oxysilane.

Molecular Properties

Compound Nametrimethyl-[(1Z,3E)-4-[(2-methylpropan-2-yl)oxy]-1-phenylmethoxybuta-1,3-dien-2-yl]oxysilane
PubChem CID11484052
Molecular FormulaC18H28O3Si
Molecular Weight320.50 g/mol
Exact Mass320.18
IUPAC Nametrimethyl-[(1Z,3E)-4-[(2-methylpropan-2-yl)oxy]-1-phenylmethoxybuta-1,3-dien-2-yl]oxysilane
SMILESCC(C)(C)O/C=C/C(=C/OCc1ccccc1)O[Si](C)(C)C
InChIInChI=1S/C18H28O3Si/c1-18(2,3)20-13-12-17(21-22(4,5)6)15-19-14-16-10-8-7-9-11-16/h7-13,15H,14H2,1-6H3/b13-12+,17-15-
InChIKeyTVUPXXNKRVGYOY-WLCJKZAOSA-N
XLogP5.22
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.50
LogP ≤ 55.22
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': 'polyene', 'substructure': 'N/A'}

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Related Compounds

trimethyl-[(E)-2-phenylmethoxy-1-trimethylsilylethenoxy]silane
CID 14938849
[(1Z)-3,3-dimethyl-1-phenylmethoxypenta-1,4-dien-2-yl]oxy-trimethylsilane
CID 46899660
trimethyl-[(1E,3Z)-2-methyl-1-phenylmethoxypenta-1,3-dien-3-yl]oxysilane
CID 10934722
tert-butyl-dimethyl-(2-phenylmethoxyethenoxy)silane
CID 10468367
2,2-difluoroethenoxymethylbenzene
CID 53483110
trimethyl-[(E)-1-[(2-methylpropan-2-yl)oxy]-3-phenylprop-1-enoxy]silane
CID 71271588
(E)-4-phenylmethoxybut-3-en-2-one
CID 5368274
[(1Z,3E)-5,5-dimethylhexa-1,3-dienoxy]methylbenzene
CID 122393351
[(Z)-4-[(2-methylpropan-2-yl)oxy]but-3-enyl]benzene
CID 134879348
(E)-1,1,1-trifluoro-4-phenylmethoxybut-3-en-2-one
CID 11053414
tert-butyl-[3-methyl-2-[(E)-2-phenylmethoxyethenyl]but-2-enoxy]-diphenylsilane
CID 11317038
(4R)-4-benzyl-3-[(Z)-1-[tert-butyl(dimethyl)silyl]oxy-2-phenylmethoxyethenyl]-1,3-oxazolidin-2-one
CID 102297158

Frequently Asked Questions

What is the IUPAC name of trimethyl-[(1Z,3E)-4-[(2-methylpropan-2-yl)oxy]-1-phenylmethoxybuta-1,3-dien-2-yl]oxysilane?
The IUPAC name of trimethyl-[(1Z,3E)-4-[(2-methylpropan-2-yl)oxy]-1-phenylmethoxybuta-1,3-dien-2-yl]oxysilane (CID 11484052) is trimethyl-[(1Z,3E)-4-[(2-methylpropan-2-yl)oxy]-1-phenylmethoxybuta-1,3-dien-2-yl]oxysilane.
What is the SMILES notation for trimethyl-[(1Z,3E)-4-[(2-methylpropan-2-yl)oxy]-1-phenylmethoxybuta-1,3-dien-2-yl]oxysilane?
The canonical SMILES for trimethyl-[(1Z,3E)-4-[(2-methylpropan-2-yl)oxy]-1-phenylmethoxybuta-1,3-dien-2-yl]oxysilane is CC(C)(C)O/C=C/C(=C/OCc1ccccc1)O[Si](C)(C)C.
What is the InChIKey of trimethyl-[(1Z,3E)-4-[(2-methylpropan-2-yl)oxy]-1-phenylmethoxybuta-1,3-dien-2-yl]oxysilane?
The InChIKey is TVUPXXNKRVGYOY-WLCJKZAOSA-N. The full InChI is InChI=1S/C18H28O3Si/c1-18(2,3)20-13-12-17(21-22(4,5)6)15-19-14-16-10-8-7-9-11-16/h7-13,15H,14H2,1-6H3/b13-12+,17-15-.
What are the key properties of trimethyl-[(1Z,3E)-4-[(2-methylpropan-2-yl)oxy]-1-phenylmethoxybuta-1,3-dien-2-yl]oxysilane?
trimethyl-[(1Z,3E)-4-[(2-methylpropan-2-yl)oxy]-1-phenylmethoxybuta-1,3-dien-2-yl]oxysilane has a molecular weight of 320.50 g/mol, XLogP of 5.22, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[(1Z,3E)-4-[(2-methylpropan-2-yl)oxy]-1-phenylmethoxybuta-1,3-dien-2-yl]oxysilane is sourced from PubChem (CID 11484052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).