tert-butyl (Z)-3-trimethylsilyloxybut-2-enoate

C11H22O3Si — CID 87603197

IUPACtert-butyl (Z)-3-trimethylsilyloxybut-2-enoate
SMILESC/C(=C/C(=O)OC(C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C11H22O3Si/c1-9(14-15(5,6)7)8-10(12)13-11(2,3)4/h8H,1-7H3/b9-8-
InChIKeyHDXQNJQEDFHZAR-HJWRWDBZSA-N
MW230.38 g/mol
LogP3.08
Rot. Bonds3

About tert-butyl (Z)-3-trimethylsilyloxybut-2-enoate

tert-butyl (Z)-3-trimethylsilyloxybut-2-enoate (PubChem CID 87603197) has the molecular formula C11H22O3Si and a molecular weight of 230.38 g/mol. Its IUPAC name is tert-butyl (Z)-3-trimethylsilyloxybut-2-enoate.

Molecular Properties

Compound Nametert-butyl (Z)-3-trimethylsilyloxybut-2-enoate
PubChem CID87603197
Molecular FormulaC11H22O3Si
Molecular Weight230.38 g/mol
Exact Mass230.13
IUPAC Nametert-butyl (Z)-3-trimethylsilyloxybut-2-enoate
SMILESC/C(=C/C(=O)OC(C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C11H22O3Si/c1-9(14-15(5,6)7)8-10(12)13-11(2,3)4/h8H,1-7H3/b9-8-
InChIKeyHDXQNJQEDFHZAR-HJWRWDBZSA-N
XLogP3.08
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.38
LogP ≤ 53.08
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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Frequently Asked Questions

What is the IUPAC name of tert-butyl (Z)-3-trimethylsilyloxybut-2-enoate?
The IUPAC name of tert-butyl (Z)-3-trimethylsilyloxybut-2-enoate (CID 87603197) is tert-butyl (Z)-3-trimethylsilyloxybut-2-enoate.
What is the SMILES notation for tert-butyl (Z)-3-trimethylsilyloxybut-2-enoate?
The canonical SMILES for tert-butyl (Z)-3-trimethylsilyloxybut-2-enoate is C/C(=C/C(=O)OC(C)(C)C)O[Si](C)(C)C.
What is the InChIKey of tert-butyl (Z)-3-trimethylsilyloxybut-2-enoate?
The InChIKey is HDXQNJQEDFHZAR-HJWRWDBZSA-N. The full InChI is InChI=1S/C11H22O3Si/c1-9(14-15(5,6)7)8-10(12)13-11(2,3)4/h8H,1-7H3/b9-8-.
What are the key properties of tert-butyl (Z)-3-trimethylsilyloxybut-2-enoate?
tert-butyl (Z)-3-trimethylsilyloxybut-2-enoate has a molecular weight of 230.38 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (Z)-3-trimethylsilyloxybut-2-enoate is sourced from PubChem (CID 87603197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).