3-[dimethoxy(methyl)silyl]-2-methylprop-2-enal

C7H14O3Si — CID 174958805

IUPAC3-[dimethoxy(methyl)silyl]-2-methylprop-2-enal
SMILESCO[Si](C)(C=C(C)C=O)OC
InChIInChI=1S/C7H14O3Si/c1-7(5-8)6-11(4,9-2)10-3/h5-6H,1-4H3
InChIKeyXURYMKWGQBWAOL-UHFFFAOYSA-N
MW174.27 g/mol
LogP1.04
Rot. Bonds4

About 3-[dimethoxy(methyl)silyl]-2-methylprop-2-enal

3-[dimethoxy(methyl)silyl]-2-methylprop-2-enal (PubChem CID 174958805) has the molecular formula C7H14O3Si and a molecular weight of 174.27 g/mol. Its IUPAC name is 3-[dimethoxy(methyl)silyl]-2-methylprop-2-enal.

Molecular Properties

Compound Name3-[dimethoxy(methyl)silyl]-2-methylprop-2-enal
PubChem CID174958805
Molecular FormulaC7H14O3Si
Molecular Weight174.27 g/mol
Exact Mass174.07
IUPAC Name3-[dimethoxy(methyl)silyl]-2-methylprop-2-enal
SMILESCO[Si](C)(C=C(C)C=O)OC
InChIInChI=1S/C7H14O3Si/c1-7(5-8)6-11(4,9-2)10-3/h5-6H,1-4H3
InChIKeyXURYMKWGQBWAOL-UHFFFAOYSA-N
XLogP1.04
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.27
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 3-[dimethoxy(methyl)silyl]-2-methylprop-2-enal?
The IUPAC name of 3-[dimethoxy(methyl)silyl]-2-methylprop-2-enal (CID 174958805) is 3-[dimethoxy(methyl)silyl]-2-methylprop-2-enal.
What is the SMILES notation for 3-[dimethoxy(methyl)silyl]-2-methylprop-2-enal?
The canonical SMILES for 3-[dimethoxy(methyl)silyl]-2-methylprop-2-enal is CO[Si](C)(C=C(C)C=O)OC.
What is the InChIKey of 3-[dimethoxy(methyl)silyl]-2-methylprop-2-enal?
The InChIKey is XURYMKWGQBWAOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O3Si/c1-7(5-8)6-11(4,9-2)10-3/h5-6H,1-4H3.
What are the key properties of 3-[dimethoxy(methyl)silyl]-2-methylprop-2-enal?
3-[dimethoxy(methyl)silyl]-2-methylprop-2-enal has a molecular weight of 174.27 g/mol, XLogP of 1.04, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[dimethoxy(methyl)silyl]-2-methylprop-2-enal is sourced from PubChem (CID 174958805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).