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

C23H46O8Si2 — CID 88604956

IUPAC[dibutoxy(methyl)silyl]methyl 2-methylprop-2-enoate;3-[dimethoxy(methyl)silyl]propyl prop-2-enoate
SMILESC=C(C)C(=O)OC[Si](C)(OCCCC)OCCCC.C=CC(=O)OCCC[Si](C)(OC)OC
InChIInChI=1S/C14H28O4Si.C9H18O4Si/c1-6-8-10-17-19(5,18-11-9-7-2)12-16-14(15)13(3)4;1-5-9(10)13-7-6-8-14(4,11-2)12-3/h3,6-12H2,1-2,4-5H3;5H,1,6-8H2,2-4H3
InChIKeyPBIRFXDZYPBULS-UHFFFAOYSA-N
MW506.79 g/mol
LogP4.82
Rot. Bonds18

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

[dibutoxy(methyl)silyl]methyl 2-methylprop-2-enoate;3-[dimethoxy(methyl)silyl]propyl prop-2-enoate (PubChem CID 88604956) has the molecular formula C23H46O8Si2 and a molecular weight of 506.79 g/mol. Its IUPAC name is [dibutoxy(methyl)silyl]methyl 2-methylprop-2-enoate;3-[dimethoxy(methyl)silyl]propyl prop-2-enoate.

Molecular Properties

Compound Name[dibutoxy(methyl)silyl]methyl 2-methylprop-2-enoate;3-[dimethoxy(methyl)silyl]propyl prop-2-enoate
PubChem CID88604956
Molecular FormulaC23H46O8Si2
Molecular Weight506.79 g/mol
Exact Mass506.27
IUPAC Name[dibutoxy(methyl)silyl]methyl 2-methylprop-2-enoate;3-[dimethoxy(methyl)silyl]propyl prop-2-enoate
SMILESC=C(C)C(=O)OC[Si](C)(OCCCC)OCCCC.C=CC(=O)OCCC[Si](C)(OC)OC
InChIInChI=1S/C14H28O4Si.C9H18O4Si/c1-6-8-10-17-19(5,18-11-9-7-2)12-16-14(15)13(3)4;1-5-9(10)13-7-6-8-14(4,11-2)12-3/h3,6-12H2,1-2,4-5H3;5H,1,6-8H2,2-4H3
InChIKeyPBIRFXDZYPBULS-UHFFFAOYSA-N
XLogP4.82
TPSA89.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds18
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.79
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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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Related Compounds

3-[dibutoxy(methyl)silyl]propyl prop-2-enoate
CID 21432061
3-(methoxy-methyl-propoxysilyl)propyl prop-2-enoate
CID 172555939
3-[dimethoxy(methyl)silyl]propyl prop-2-enoate;3-triethoxysilylpropyl prop-2-enoate
CID 87188845
butyl 2-methylprop-2-enoate;octadecyl prop-2-enoate
CID 87991734
3-[butoxy(dimethyl)silyl]propyl prop-2-enoate
CID 142550479
butyl prop-2-enoate;2-hydroxyethyl 2-methylprop-2-enoate
CID 23051015
3-[dimethoxy(methyl)silyl]propyl prop-2-enoate;3-trichlorosilylpropyl prop-2-enoate
CID 87857692
butyl 2-methylprop-2-enoate;butyl prop-2-enoate;2-methylprop-2-enoic acid;prop-2-enoic acid
CID 161441199
decyl prop-2-enoate;dodecyl prop-2-enoate;nonacosyl 2-methylprop-2-enoate;nonyl prop-2-enoate;octacosyl 2-methylprop-2-enoate;triacontyl 2-methylprop-2-enoate;undecyl prop-2-enoate
CID 158639782
octadecyl prop-2-enoate;tridecyl 2-methylprop-2-enoate
CID 157275770
butyl prop-2-enoate;methyl 2-methylprop-2-enoate;octyl 2-methylprop-2-enoate
CID 158889413
11-[dihexoxy(methyl)silyl]undecyl 2-methylprop-2-enoate
CID 142567348

Frequently Asked Questions

What is the IUPAC name of [dibutoxy(methyl)silyl]methyl 2-methylprop-2-enoate;3-[dimethoxy(methyl)silyl]propyl prop-2-enoate?
The IUPAC name of [dibutoxy(methyl)silyl]methyl 2-methylprop-2-enoate;3-[dimethoxy(methyl)silyl]propyl prop-2-enoate (CID 88604956) is [dibutoxy(methyl)silyl]methyl 2-methylprop-2-enoate;3-[dimethoxy(methyl)silyl]propyl prop-2-enoate.
What is the SMILES notation for [dibutoxy(methyl)silyl]methyl 2-methylprop-2-enoate;3-[dimethoxy(methyl)silyl]propyl prop-2-enoate?
The canonical SMILES for [dibutoxy(methyl)silyl]methyl 2-methylprop-2-enoate;3-[dimethoxy(methyl)silyl]propyl prop-2-enoate is C=C(C)C(=O)OC[Si](C)(OCCCC)OCCCC.C=CC(=O)OCCC[Si](C)(OC)OC.
What is the InChIKey of [dibutoxy(methyl)silyl]methyl 2-methylprop-2-enoate;3-[dimethoxy(methyl)silyl]propyl prop-2-enoate?
The InChIKey is PBIRFXDZYPBULS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O4Si.C9H18O4Si/c1-6-8-10-17-19(5,18-11-9-7-2)12-16-14(15)13(3)4;1-5-9(10)13-7-6-8-14(4,11-2)12-3/h3,6-12H2,1-2,4-5H3;5H,1,6-8H2,2-4H3.
What are the key properties of [dibutoxy(methyl)silyl]methyl 2-methylprop-2-enoate;3-[dimethoxy(methyl)silyl]propyl prop-2-enoate?
[dibutoxy(methyl)silyl]methyl 2-methylprop-2-enoate;3-[dimethoxy(methyl)silyl]propyl prop-2-enoate has a molecular weight of 506.79 g/mol, XLogP of 4.82, 18 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [dibutoxy(methyl)silyl]methyl 2-methylprop-2-enoate;3-[dimethoxy(methyl)silyl]propyl prop-2-enoate is sourced from PubChem (CID 88604956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).