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

C12H24O4Si — CID 2759529

IUPAC3-[diethoxy(methyl)silyl]propyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCC[Si](C)(OCC)OCC
InChIInChI=1S/C12H24O4Si/c1-6-15-17(5,16-7-2)10-8-9-14-12(13)11(3)4/h3,6-10H2,1-2,4-5H3
InChIKeyDOYKFSOCSXVQAN-UHFFFAOYSA-N
MW260.41 g/mol
LogP2.64
Rot. Bonds9

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

3-[diethoxy(methyl)silyl]propyl 2-methylprop-2-enoate (PubChem CID 2759529) has the molecular formula C12H24O4Si and a molecular weight of 260.41 g/mol. Its IUPAC name is 3-[diethoxy(methyl)silyl]propyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name3-[diethoxy(methyl)silyl]propyl 2-methylprop-2-enoate
PubChem CID2759529
Molecular FormulaC12H24O4Si
Molecular Weight260.41 g/mol
Exact Mass260.14
IUPAC Name3-[diethoxy(methyl)silyl]propyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCC[Si](C)(OCC)OCC
InChIInChI=1S/C12H24O4Si/c1-6-15-17(5,16-7-2)10-8-9-14-12(13)11(3)4/h3,6-10H2,1-2,4-5H3
InChIKeyDOYKFSOCSXVQAN-UHFFFAOYSA-N
XLogP2.64
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.41
LogP ≤ 52.64
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-[diethoxy(methyl)silyl]propyl 2-methylprop-2-enoate?
The IUPAC name of 3-[diethoxy(methyl)silyl]propyl 2-methylprop-2-enoate (CID 2759529) is 3-[diethoxy(methyl)silyl]propyl 2-methylprop-2-enoate.
What is the SMILES notation for 3-[diethoxy(methyl)silyl]propyl 2-methylprop-2-enoate?
The canonical SMILES for 3-[diethoxy(methyl)silyl]propyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCC[Si](C)(OCC)OCC.
What is the InChIKey of 3-[diethoxy(methyl)silyl]propyl 2-methylprop-2-enoate?
The InChIKey is DOYKFSOCSXVQAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O4Si/c1-6-15-17(5,16-7-2)10-8-9-14-12(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-enoate?
3-[diethoxy(methyl)silyl]propyl 2-methylprop-2-enoate has a molecular weight of 260.41 g/mol, XLogP of 2.64, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[diethoxy(methyl)silyl]propyl 2-methylprop-2-enoate is sourced from PubChem (CID 2759529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).