tert-butyl-[[3-methoxy-2-[(1Z)-1-methoxybuta-1,3-dienyl]phenyl]methoxy]-dimethylsilane

C19H30O3Si — CID 15532514

IUPACtert-butyl-[[3-methoxy-2-[(1Z)-1-methoxybuta-1,3-dienyl]phenyl]methoxy]-dimethylsilane
SMILESC=C/C=C(\OC)c1c(CO[Si](C)(C)C(C)(C)C)cccc1OC
InChIInChI=1S/C19H30O3Si/c1-9-11-16(20-5)18-15(12-10-13-17(18)21-6)14-22-23(7,8)19(2,3)4/h9-13H,1,14H2,2-8H3/b16-11-
InChIKeyKOKQKTZHVHCXPV-WJDWOHSUSA-N
MW334.53 g/mol
LogP5.39
Rot. Bonds7

About tert-butyl-[[3-methoxy-2-[(1Z)-1-methoxybuta-1,3-dienyl]phenyl]methoxy]-dimethylsilane

tert-butyl-[[3-methoxy-2-[(1Z)-1-methoxybuta-1,3-dienyl]phenyl]methoxy]-dimethylsilane (PubChem CID 15532514) has the molecular formula C19H30O3Si and a molecular weight of 334.53 g/mol. Its IUPAC name is tert-butyl-[[3-methoxy-2-[(1Z)-1-methoxybuta-1,3-dienyl]phenyl]methoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[3-methoxy-2-[(1Z)-1-methoxybuta-1,3-dienyl]phenyl]methoxy]-dimethylsilane
PubChem CID15532514
Molecular FormulaC19H30O3Si
Molecular Weight334.53 g/mol
Exact Mass334.20
IUPAC Nametert-butyl-[[3-methoxy-2-[(1Z)-1-methoxybuta-1,3-dienyl]phenyl]methoxy]-dimethylsilane
SMILESC=C/C=C(\OC)c1c(CO[Si](C)(C)C(C)(C)C)cccc1OC
InChIInChI=1S/C19H30O3Si/c1-9-11-16(20-5)18-15(12-10-13-17(18)21-6)14-22-23(7,8)19(2,3)4/h9-13H,1,14H2,2-8H3/b16-11-
InChIKeyKOKQKTZHVHCXPV-WJDWOHSUSA-N
XLogP5.39
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.53
LogP ≤ 55.39
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

tert-butyl-[(3-methoxy-2-prop-2-enylphenyl)methoxy]-dimethylsilane
CID 11197121
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CID 169432229
4-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methoxyphenyl]but-3-en-2-one
CID 68803997
2-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]ethanol
CID 102186248
4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-1-benzofuran-2-carboxylic acid
CID 68715819
tert-butyl-[[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-phenylmethoxyphenyl]methoxy]-dimethylsilane
CID 57099550
2,6-dimethoxy-N-prop-2-enylbenzamide
CID 3569670
ethyl 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-1-benzofuran-2-carboxylate
CID 68711986
methyl N-[[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-chlorophenyl]methyl]carbamate
CID 67148148
tert-butyl-dimethyl-[(3-methyl-2-prop-2-enylphenyl)methoxy]silane;fluoro-methyl-tritioborane;(3-methyl-2-prop-2-enylphenyl)methanol
CID 157285347
tert-butyl-[[2-[[tert-butyl(dimethyl)silyl]oxymethyl]thiophen-3-yl]methoxy]-dimethylsilane
CID 10690703
1-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]propan-1-ol
CID 19981621

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[3-methoxy-2-[(1Z)-1-methoxybuta-1,3-dienyl]phenyl]methoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[3-methoxy-2-[(1Z)-1-methoxybuta-1,3-dienyl]phenyl]methoxy]-dimethylsilane (CID 15532514) is tert-butyl-[[3-methoxy-2-[(1Z)-1-methoxybuta-1,3-dienyl]phenyl]methoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[3-methoxy-2-[(1Z)-1-methoxybuta-1,3-dienyl]phenyl]methoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[3-methoxy-2-[(1Z)-1-methoxybuta-1,3-dienyl]phenyl]methoxy]-dimethylsilane is C=C/C=C(\OC)c1c(CO[Si](C)(C)C(C)(C)C)cccc1OC.
What is the InChIKey of tert-butyl-[[3-methoxy-2-[(1Z)-1-methoxybuta-1,3-dienyl]phenyl]methoxy]-dimethylsilane?
The InChIKey is KOKQKTZHVHCXPV-WJDWOHSUSA-N. The full InChI is InChI=1S/C19H30O3Si/c1-9-11-16(20-5)18-15(12-10-13-17(18)21-6)14-22-23(7,8)19(2,3)4/h9-13H,1,14H2,2-8H3/b16-11-.
What are the key properties of tert-butyl-[[3-methoxy-2-[(1Z)-1-methoxybuta-1,3-dienyl]phenyl]methoxy]-dimethylsilane?
tert-butyl-[[3-methoxy-2-[(1Z)-1-methoxybuta-1,3-dienyl]phenyl]methoxy]-dimethylsilane has a molecular weight of 334.53 g/mol, XLogP of 5.39, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[3-methoxy-2-[(1Z)-1-methoxybuta-1,3-dienyl]phenyl]methoxy]-dimethylsilane is sourced from PubChem (CID 15532514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).