2-[tert-butyl(dimethyl)silyl]oxyprop-2-enal

C9H18O2Si — CID 11446774

IUPAC2-[tert-butyl(dimethyl)silyl]oxyprop-2-enal
SMILESC=C(C=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C9H18O2Si/c1-8(7-10)11-12(5,6)9(2,3)4/h7H,1H2,2-6H3
InChIKeyAJFZGVVPRNVTFH-UHFFFAOYSA-N
MW186.33 g/mol
LogP2.72
Rot. Bonds3

About 2-[tert-butyl(dimethyl)silyl]oxyprop-2-enal

2-[tert-butyl(dimethyl)silyl]oxyprop-2-enal (PubChem CID 11446774) has the molecular formula C9H18O2Si and a molecular weight of 186.33 g/mol. Its IUPAC name is 2-[tert-butyl(dimethyl)silyl]oxyprop-2-enal.

Molecular Properties

Compound Name2-[tert-butyl(dimethyl)silyl]oxyprop-2-enal
PubChem CID11446774
Molecular FormulaC9H18O2Si
Molecular Weight186.33 g/mol
Exact Mass186.11
IUPAC Name2-[tert-butyl(dimethyl)silyl]oxyprop-2-enal
SMILESC=C(C=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C9H18O2Si/c1-8(7-10)11-12(5,6)9(2,3)4/h7H,1H2,2-6H3
InChIKeyAJFZGVVPRNVTFH-UHFFFAOYSA-N
XLogP2.72
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.33
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'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 2-[tert-butyl(dimethyl)silyl]oxyprop-2-enal?
The IUPAC name of 2-[tert-butyl(dimethyl)silyl]oxyprop-2-enal (CID 11446774) is 2-[tert-butyl(dimethyl)silyl]oxyprop-2-enal.
What is the SMILES notation for 2-[tert-butyl(dimethyl)silyl]oxyprop-2-enal?
The canonical SMILES for 2-[tert-butyl(dimethyl)silyl]oxyprop-2-enal is C=C(C=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 2-[tert-butyl(dimethyl)silyl]oxyprop-2-enal?
The InChIKey is AJFZGVVPRNVTFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O2Si/c1-8(7-10)11-12(5,6)9(2,3)4/h7H,1H2,2-6H3.
What are the key properties of 2-[tert-butyl(dimethyl)silyl]oxyprop-2-enal?
2-[tert-butyl(dimethyl)silyl]oxyprop-2-enal has a molecular weight of 186.33 g/mol, XLogP of 2.72, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl(dimethyl)silyl]oxyprop-2-enal is sourced from PubChem (CID 11446774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).