3-[diethoxy(methyl)silyl]propyl 2-methylprop-2-eneperoxoate

C12H24O5Si — CID 23500169

IUPAC3-[diethoxy(methyl)silyl]propyl 2-methylprop-2-eneperoxoate
SMILESC=C(C)C(=O)OOCCC[Si](C)(OCC)OCC
InChIInChI=1S/C12H24O5Si/c1-6-15-18(5,16-7-2)10-8-9-14-17-12(13)11(3)4/h3,6-10H2,1-2,4-5H3
InChIKeyZNDOGCJBESGPEG-UHFFFAOYSA-N
MW276.40 g/mol
LogP2.57
Rot. Bonds10

About 3-[diethoxy(methyl)silyl]propyl 2-methylprop-2-eneperoxoate

3-[diethoxy(methyl)silyl]propyl 2-methylprop-2-eneperoxoate (PubChem CID 23500169) has the molecular formula C12H24O5Si and a molecular weight of 276.40 g/mol. Its IUPAC name is 3-[diethoxy(methyl)silyl]propyl 2-methylprop-2-eneperoxoate.

Molecular Properties

Compound Name3-[diethoxy(methyl)silyl]propyl 2-methylprop-2-eneperoxoate
PubChem CID23500169
Molecular FormulaC12H24O5Si
Molecular Weight276.40 g/mol
Exact Mass276.14
IUPAC Name3-[diethoxy(methyl)silyl]propyl 2-methylprop-2-eneperoxoate
SMILESC=C(C)C(=O)OOCCC[Si](C)(OCC)OCC
InChIInChI=1S/C12H24O5Si/c1-6-15-18(5,16-7-2)10-8-9-14-17-12(13)11(3)4/h3,6-10H2,1-2,4-5H3
InChIKeyZNDOGCJBESGPEG-UHFFFAOYSA-N
XLogP2.57
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[diethoxy(methyl)silyl]propyl 2-methylprop-2-eneperoxoate?
The IUPAC name of 3-[diethoxy(methyl)silyl]propyl 2-methylprop-2-eneperoxoate (CID 23500169) is 3-[diethoxy(methyl)silyl]propyl 2-methylprop-2-eneperoxoate.
What is the SMILES notation for 3-[diethoxy(methyl)silyl]propyl 2-methylprop-2-eneperoxoate?
The canonical SMILES for 3-[diethoxy(methyl)silyl]propyl 2-methylprop-2-eneperoxoate is C=C(C)C(=O)OOCCC[Si](C)(OCC)OCC.
What is the InChIKey of 3-[diethoxy(methyl)silyl]propyl 2-methylprop-2-eneperoxoate?
The InChIKey is ZNDOGCJBESGPEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O5Si/c1-6-15-18(5,16-7-2)10-8-9-14-17-12(13)11(3)4/h3,6-10H2,1-2,4-5H3.
What are the key properties of 3-[diethoxy(methyl)silyl]propyl 2-methylprop-2-eneperoxoate?
3-[diethoxy(methyl)silyl]propyl 2-methylprop-2-eneperoxoate has a molecular weight of 276.40 g/mol, XLogP of 2.57, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[diethoxy(methyl)silyl]propyl 2-methylprop-2-eneperoxoate is sourced from PubChem (CID 23500169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).