tert-butyl (E)-3-trimethylsilyloxy-2-(1-trimethylsilyloxyethenyl)but-2-enoate

C16H32O4Si2 — CID 23661406

IUPACtert-butyl (E)-3-trimethylsilyloxy-2-(1-trimethylsilyloxyethenyl)but-2-enoate
SMILESC=C(O[Si](C)(C)C)/C(C(=O)OC(C)(C)C)=C(/C)O[Si](C)(C)C
InChIInChI=1S/C16H32O4Si2/c1-12(19-21(6,7)8)14(13(2)20-22(9,10)11)15(17)18-16(3,4)5/h1H2,2-11H3/b14-13+
InChIKeyDZEAJAHPSSBTMQ-BUHFOSPRSA-N
MW344.60 g/mol
LogP4.82
Rot. Bonds6

About tert-butyl (E)-3-trimethylsilyloxy-2-(1-trimethylsilyloxyethenyl)but-2-enoate

tert-butyl (E)-3-trimethylsilyloxy-2-(1-trimethylsilyloxyethenyl)but-2-enoate (PubChem CID 23661406) has the molecular formula C16H32O4Si2 and a molecular weight of 344.60 g/mol. Its IUPAC name is tert-butyl (E)-3-trimethylsilyloxy-2-(1-trimethylsilyloxyethenyl)but-2-enoate.

Molecular Properties

Compound Nametert-butyl (E)-3-trimethylsilyloxy-2-(1-trimethylsilyloxyethenyl)but-2-enoate
PubChem CID23661406
Molecular FormulaC16H32O4Si2
Molecular Weight344.60 g/mol
Exact Mass344.18
IUPAC Nametert-butyl (E)-3-trimethylsilyloxy-2-(1-trimethylsilyloxyethenyl)but-2-enoate
SMILESC=C(O[Si](C)(C)C)/C(C(=O)OC(C)(C)C)=C(/C)O[Si](C)(C)C
InChIInChI=1S/C16H32O4Si2/c1-12(19-21(6,7)8)14(13(2)20-22(9,10)11)15(17)18-16(3,4)5/h1H2,2-11H3/b14-13+
InChIKeyDZEAJAHPSSBTMQ-BUHFOSPRSA-N
XLogP4.82
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.60
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

tert-butyl (Z)-3-trimethylsilyloxybut-2-enoate
CID 87603197
tert-butyl (2Z)-3-bromo-2-prop-1-en-2-ylpenta-2,4-dienoate
CID 170757348
trimethylsilyl (Z)-2-methyl-3-trimethylsilyloxybut-2-enoate
CID 5352679
2-[(2-methylpropan-2-yl)oxycarbonyl]prop-2-enyl (2E)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylpenta-2,4-dienoate
CID 11036351
tert-butyl acetate;iron
CID 174907269
ditert-butyl oxalate;hydrazine
CID 88669499
tert-butyl 2-methyl-2-trimethylsilylpropanoate
CID 23650779
1-O-tert-butyl 2-O-chloro oxalate
CID 54089590
tert-butyl 2-[tert-butyl(dimethyl)silyl]-2-oxoacetate
CID 11622880
ethane-1,2-diol;trimethylsilyl 2-methylprop-2-enoate
CID 87381259
tert-butyl 2-(trimethylsilylmethyl)prop-2-enoate;2-(trimethylsilylmethyl)prop-2-enoic acid
CID 161226856
tert-butyl (2Z)-3-bromo-2-[(Z)-but-2-en-2-yl]penta-2,4-dienoate
CID 170757266

Frequently Asked Questions

What is the IUPAC name of tert-butyl (E)-3-trimethylsilyloxy-2-(1-trimethylsilyloxyethenyl)but-2-enoate?
The IUPAC name of tert-butyl (E)-3-trimethylsilyloxy-2-(1-trimethylsilyloxyethenyl)but-2-enoate (CID 23661406) is tert-butyl (E)-3-trimethylsilyloxy-2-(1-trimethylsilyloxyethenyl)but-2-enoate.
What is the SMILES notation for tert-butyl (E)-3-trimethylsilyloxy-2-(1-trimethylsilyloxyethenyl)but-2-enoate?
The canonical SMILES for tert-butyl (E)-3-trimethylsilyloxy-2-(1-trimethylsilyloxyethenyl)but-2-enoate is C=C(O[Si](C)(C)C)/C(C(=O)OC(C)(C)C)=C(/C)O[Si](C)(C)C.
What is the InChIKey of tert-butyl (E)-3-trimethylsilyloxy-2-(1-trimethylsilyloxyethenyl)but-2-enoate?
The InChIKey is DZEAJAHPSSBTMQ-BUHFOSPRSA-N. The full InChI is InChI=1S/C16H32O4Si2/c1-12(19-21(6,7)8)14(13(2)20-22(9,10)11)15(17)18-16(3,4)5/h1H2,2-11H3/b14-13+.
What are the key properties of tert-butyl (E)-3-trimethylsilyloxy-2-(1-trimethylsilyloxyethenyl)but-2-enoate?
tert-butyl (E)-3-trimethylsilyloxy-2-(1-trimethylsilyloxyethenyl)but-2-enoate has a molecular weight of 344.60 g/mol, XLogP of 4.82, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (E)-3-trimethylsilyloxy-2-(1-trimethylsilyloxyethenyl)but-2-enoate is sourced from PubChem (CID 23661406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).