4-[tert-butyl(dimethyl)silyl]oxy-3-methylbut-2-enal

C11H22O2Si — CID 71353226

IUPAC4-[tert-butyl(dimethyl)silyl]oxy-3-methylbut-2-enal
SMILESCC(=CC=O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C11H22O2Si/c1-10(7-8-12)9-13-14(5,6)11(2,3)4/h7-8H,9H2,1-6H3
InChIKeyATUPCFOCLGBXBF-UHFFFAOYSA-N
MW214.38 g/mol
LogP3.15
Rot. Bonds4

About 4-[tert-butyl(dimethyl)silyl]oxy-3-methylbut-2-enal

4-[tert-butyl(dimethyl)silyl]oxy-3-methylbut-2-enal (PubChem CID 71353226) has the molecular formula C11H22O2Si and a molecular weight of 214.38 g/mol. Its IUPAC name is 4-[tert-butyl(dimethyl)silyl]oxy-3-methylbut-2-enal.

Molecular Properties

Compound Name4-[tert-butyl(dimethyl)silyl]oxy-3-methylbut-2-enal
PubChem CID71353226
Molecular FormulaC11H22O2Si
Molecular Weight214.38 g/mol
Exact Mass214.14
IUPAC Name4-[tert-butyl(dimethyl)silyl]oxy-3-methylbut-2-enal
SMILESCC(=CC=O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C11H22O2Si/c1-10(7-8-12)9-13-14(5,6)11(2,3)4/h7-8H,9H2,1-6H3
InChIKeyATUPCFOCLGBXBF-UHFFFAOYSA-N
XLogP3.15
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.38
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', '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 4-[tert-butyl(dimethyl)silyl]oxy-3-methylbut-2-enal?
The IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxy-3-methylbut-2-enal (CID 71353226) is 4-[tert-butyl(dimethyl)silyl]oxy-3-methylbut-2-enal.
What is the SMILES notation for 4-[tert-butyl(dimethyl)silyl]oxy-3-methylbut-2-enal?
The canonical SMILES for 4-[tert-butyl(dimethyl)silyl]oxy-3-methylbut-2-enal is CC(=CC=O)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of 4-[tert-butyl(dimethyl)silyl]oxy-3-methylbut-2-enal?
The InChIKey is ATUPCFOCLGBXBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2Si/c1-10(7-8-12)9-13-14(5,6)11(2,3)4/h7-8H,9H2,1-6H3.
What are the key properties of 4-[tert-butyl(dimethyl)silyl]oxy-3-methylbut-2-enal?
4-[tert-butyl(dimethyl)silyl]oxy-3-methylbut-2-enal has a molecular weight of 214.38 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[tert-butyl(dimethyl)silyl]oxy-3-methylbut-2-enal is sourced from PubChem (CID 71353226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).