2-methyl-3-triethoxysilylprop-2-enal

C10H20O4Si — CID 174481275

IUPAC2-methyl-3-triethoxysilylprop-2-enal
SMILESCCO[Si](C=C(C)C=O)(OCC)OCC
InChIInChI=1S/C10H20O4Si/c1-5-12-15(13-6-2,14-7-3)9-10(4)8-11/h8-9H,5-7H2,1-4H3
InChIKeyDUBJCNKDWTZTIN-UHFFFAOYSA-N
MW232.35 g/mol
LogP1.72
Rot. Bonds8

About 2-methyl-3-triethoxysilylprop-2-enal

2-methyl-3-triethoxysilylprop-2-enal (PubChem CID 174481275) has the molecular formula C10H20O4Si and a molecular weight of 232.35 g/mol. Its IUPAC name is 2-methyl-3-triethoxysilylprop-2-enal.

Molecular Properties

Compound Name2-methyl-3-triethoxysilylprop-2-enal
PubChem CID174481275
Molecular FormulaC10H20O4Si
Molecular Weight232.35 g/mol
Exact Mass232.11
IUPAC Name2-methyl-3-triethoxysilylprop-2-enal
SMILESCCO[Si](C=C(C)C=O)(OCC)OCC
InChIInChI=1S/C10H20O4Si/c1-5-12-15(13-6-2,14-7-3)9-10(4)8-11/h8-9H,5-7H2,1-4H3
InChIKeyDUBJCNKDWTZTIN-UHFFFAOYSA-N
XLogP1.72
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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Related Compounds

(E)-3-[tert-butyl(dimethyl)silyl]-2-methylprop-2-enal
CID 13897981
2-Methyl-1-triethoxysilylprop-2-en-1-one
CID 17852494
3-[Dimethoxy(2-methylprop-2-enoyl)silyl]propanal
CID 18974636
2-({[tert-Butyl(dimethyl)silyl]oxy}methyl)prop-2-enal
CID 57413402
1-[Ethoxy(dimethoxy)silyl]-3-methylbut-3-en-2-one
CID 58455670
[Diethoxy(propyl)silyl] 2-methylprop-2-enoate
CID 87573471
[Butyl(diethoxy)silyl] 2-methylprop-2-enoate
CID 88064719
1-[Butyl(dimethoxy)silyl]-2-methylprop-2-en-1-one
CID 88175660
1-[Bis(trimethylsilyloxy)-(3-trimethylsilyloxypropyl)silyl]-2-methylprop-2-en-1-one
CID 88224937
2-Methyl-1-tri(propan-2-yloxy)silylprop-2-en-1-one
CID 89415253
2-Methyl-1-tripropoxysilylprop-2-en-1-one
CID 89766966
[Diethoxy(ethyl)silyl] 2-methylprop-2-enoate
CID 90000303

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-triethoxysilylprop-2-enal?
The IUPAC name of 2-methyl-3-triethoxysilylprop-2-enal (CID 174481275) is 2-methyl-3-triethoxysilylprop-2-enal.
What is the SMILES notation for 2-methyl-3-triethoxysilylprop-2-enal?
The canonical SMILES for 2-methyl-3-triethoxysilylprop-2-enal is CCO[Si](C=C(C)C=O)(OCC)OCC.
What is the InChIKey of 2-methyl-3-triethoxysilylprop-2-enal?
The InChIKey is DUBJCNKDWTZTIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O4Si/c1-5-12-15(13-6-2,14-7-3)9-10(4)8-11/h8-9H,5-7H2,1-4H3.
What are the key properties of 2-methyl-3-triethoxysilylprop-2-enal?
2-methyl-3-triethoxysilylprop-2-enal has a molecular weight of 232.35 g/mol, XLogP of 1.72, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-triethoxysilylprop-2-enal is sourced from PubChem (CID 174481275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).