tert-butyl (E)-3-[tert-butyl(dimethyl)silyl]oxyprop-2-enoate

C13H26O3Si — CID 102348097

IUPACtert-butyl (E)-3-[tert-butyl(dimethyl)silyl]oxyprop-2-enoate
SMILESCC(C)(C)OC(=O)/C=C/O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H26O3Si/c1-12(2,3)16-11(14)9-10-15-17(7,8)13(4,5)6/h9-10H,1-8H3/b10-9+
InChIKeyWARZKUCFLQEKQN-MDZDMXLPSA-N
MW258.43 g/mol
LogP3.86
Rot. Bonds3

About tert-butyl (E)-3-[tert-butyl(dimethyl)silyl]oxyprop-2-enoate

tert-butyl (E)-3-[tert-butyl(dimethyl)silyl]oxyprop-2-enoate (PubChem CID 102348097) has the molecular formula C13H26O3Si and a molecular weight of 258.43 g/mol. Its IUPAC name is tert-butyl (E)-3-[tert-butyl(dimethyl)silyl]oxyprop-2-enoate.

Molecular Properties

Compound Nametert-butyl (E)-3-[tert-butyl(dimethyl)silyl]oxyprop-2-enoate
PubChem CID102348097
Molecular FormulaC13H26O3Si
Molecular Weight258.43 g/mol
Exact Mass258.17
IUPAC Nametert-butyl (E)-3-[tert-butyl(dimethyl)silyl]oxyprop-2-enoate
SMILESCC(C)(C)OC(=O)/C=C/O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H26O3Si/c1-12(2,3)16-11(14)9-10-15-17(7,8)13(4,5)6/h9-10H,1-8H3/b10-9+
InChIKeyWARZKUCFLQEKQN-MDZDMXLPSA-N
XLogP3.86
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.43
LogP ≤ 53.86
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': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 3-[(2-methylpropan-2-yl)oxy]prop-2-enoate
CID 74018986
tert-butyl (Z)-4-oxopent-2-enoate
CID 58880394
4-[(2-methylpropan-2-yl)oxy]-4-oxobut-2-enoate
CID 7055993
methane;4-[(2-methylpropan-2-yl)oxy]-4-oxobut-2-enoic acid
CID 173377461
tert-butyl (E)-3-iodoprop-2-enoate
CID 10999580
4-O-tert-butyl 1-O-(2-trimethylsilylethyl) (E)-but-2-enedioate
CID 88503602
tert-butyl-dimethyl-[(1E,3Z)-3-trimethylsilyloxypenta-1,3-dienoxy]silane
CID 101185110
tert-butyl (E)-3-[5-[(E)-3-[(2-methylpropan-2-yl)oxy]-3-oxoprop-1-enyl]-3-pyridinyl]prop-2-enoate
CID 102051609
tert-butyl (E)-4-aminooxybut-2-enoate
CID 19790226
tert-butyl [(Z)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enyl] carbonate
CID 59981762
4-[tert-butyl(dimethyl)silyl]oxybut-3-en-2-yl acetate
CID 154478737
tert-butyl (2E)-hepta-2,6-dienoate
CID 10986921

Frequently Asked Questions

What is the IUPAC name of tert-butyl (E)-3-[tert-butyl(dimethyl)silyl]oxyprop-2-enoate?
The IUPAC name of tert-butyl (E)-3-[tert-butyl(dimethyl)silyl]oxyprop-2-enoate (CID 102348097) is tert-butyl (E)-3-[tert-butyl(dimethyl)silyl]oxyprop-2-enoate.
What is the SMILES notation for tert-butyl (E)-3-[tert-butyl(dimethyl)silyl]oxyprop-2-enoate?
The canonical SMILES for tert-butyl (E)-3-[tert-butyl(dimethyl)silyl]oxyprop-2-enoate is CC(C)(C)OC(=O)/C=C/O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl (E)-3-[tert-butyl(dimethyl)silyl]oxyprop-2-enoate?
The InChIKey is WARZKUCFLQEKQN-MDZDMXLPSA-N. The full InChI is InChI=1S/C13H26O3Si/c1-12(2,3)16-11(14)9-10-15-17(7,8)13(4,5)6/h9-10H,1-8H3/b10-9+.
What are the key properties of tert-butyl (E)-3-[tert-butyl(dimethyl)silyl]oxyprop-2-enoate?
tert-butyl (E)-3-[tert-butyl(dimethyl)silyl]oxyprop-2-enoate has a molecular weight of 258.43 g/mol, XLogP of 3.86, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (E)-3-[tert-butyl(dimethyl)silyl]oxyprop-2-enoate is sourced from PubChem (CID 102348097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).