3-[dimethoxy(methyl)silyl]propyl prop-2-enoate

C9H18O4Si — CID 2756289

IUPAC3-[dimethoxy(methyl)silyl]propyl prop-2-enoate
SMILESC=CC(=O)OCCC[Si](C)(OC)OC
InChIInChI=1S/C9H18O4Si/c1-5-9(10)13-7-6-8-14(4,11-2)12-3/h5H,1,6-8H2,2-4H3
InChIKeyMCDBEBOBROAQSH-UHFFFAOYSA-N
MW218.32 g/mol
LogP1.47
Rot. Bonds7

About 3-[dimethoxy(methyl)silyl]propyl prop-2-enoate

3-[dimethoxy(methyl)silyl]propyl prop-2-enoate (PubChem CID 2756289) has the molecular formula C9H18O4Si and a molecular weight of 218.32 g/mol. Its IUPAC name is 3-[dimethoxy(methyl)silyl]propyl prop-2-enoate.

Molecular Properties

Compound Name3-[dimethoxy(methyl)silyl]propyl prop-2-enoate
PubChem CID2756289
Molecular FormulaC9H18O4Si
Molecular Weight218.32 g/mol
Exact Mass218.10
IUPAC Name3-[dimethoxy(methyl)silyl]propyl prop-2-enoate
SMILESC=CC(=O)OCCC[Si](C)(OC)OC
InChIInChI=1S/C9H18O4Si/c1-5-9(10)13-7-6-8-14(4,11-2)12-3/h5H,1,6-8H2,2-4H3
InChIKeyMCDBEBOBROAQSH-UHFFFAOYSA-N
XLogP1.47
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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]propyl prop-2-enoate?
The IUPAC name of 3-[dimethoxy(methyl)silyl]propyl prop-2-enoate (CID 2756289) is 3-[dimethoxy(methyl)silyl]propyl prop-2-enoate.
What is the SMILES notation for 3-[dimethoxy(methyl)silyl]propyl prop-2-enoate?
The canonical SMILES for 3-[dimethoxy(methyl)silyl]propyl prop-2-enoate is C=CC(=O)OCCC[Si](C)(OC)OC.
What is the InChIKey of 3-[dimethoxy(methyl)silyl]propyl prop-2-enoate?
The InChIKey is MCDBEBOBROAQSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O4Si/c1-5-9(10)13-7-6-8-14(4,11-2)12-3/h5H,1,6-8H2,2-4H3.
What are the key properties of 3-[dimethoxy(methyl)silyl]propyl prop-2-enoate?
3-[dimethoxy(methyl)silyl]propyl prop-2-enoate has a molecular weight of 218.32 g/mol, XLogP of 1.47, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[dimethoxy(methyl)silyl]propyl prop-2-enoate is sourced from PubChem (CID 2756289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).