2-triethylsilyloxyprop-2-enal

C9H18O2Si — CID 10861802

IUPAC2-triethylsilyloxyprop-2-enal
SMILESC=C(C=O)O[Si](CC)(CC)CC
InChIInChI=1S/C9H18O2Si/c1-5-12(6-2,7-3)11-9(4)8-10/h8H,4-7H2,1-3H3
InChIKeyZJEBWVXSYMFEEG-UHFFFAOYSA-N
MW186.33 g/mol
LogP2.72
Rot. Bonds6

About 2-triethylsilyloxyprop-2-enal

2-triethylsilyloxyprop-2-enal (PubChem CID 10861802) has the molecular formula C9H18O2Si and a molecular weight of 186.33 g/mol. Its IUPAC name is 2-triethylsilyloxyprop-2-enal.

Molecular Properties

Compound Name2-triethylsilyloxyprop-2-enal
PubChem CID10861802
Molecular FormulaC9H18O2Si
Molecular Weight186.33 g/mol
Exact Mass186.11
IUPAC Name2-triethylsilyloxyprop-2-enal
SMILESC=C(C=O)O[Si](CC)(CC)CC
InChIInChI=1S/C9H18O2Si/c1-5-12(6-2,7-3)11-9(4)8-10/h8H,4-7H2,1-3H3
InChIKeyZJEBWVXSYMFEEG-UHFFFAOYSA-N
XLogP2.72
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
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-triethylsilyloxyprop-2-enal?
The IUPAC name of 2-triethylsilyloxyprop-2-enal (CID 10861802) is 2-triethylsilyloxyprop-2-enal.
What is the SMILES notation for 2-triethylsilyloxyprop-2-enal?
The canonical SMILES for 2-triethylsilyloxyprop-2-enal is C=C(C=O)O[Si](CC)(CC)CC.
What is the InChIKey of 2-triethylsilyloxyprop-2-enal?
The InChIKey is ZJEBWVXSYMFEEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O2Si/c1-5-12(6-2,7-3)11-9(4)8-10/h8H,4-7H2,1-3H3.
What are the key properties of 2-triethylsilyloxyprop-2-enal?
2-triethylsilyloxyprop-2-enal has a molecular weight of 186.33 g/mol, XLogP of 2.72, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-triethylsilyloxyprop-2-enal is sourced from PubChem (CID 10861802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).