[1-propoxy-3-[3-tris(trimethylsilyloxy)silylpropoxy]propan-2-yl] 2-methylprop-2-enoate

C22H50O7Si4 — CID 21037504

IUPAC[1-propoxy-3-[3-tris(trimethylsilyloxy)silylpropoxy]propan-2-yl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(COCCC)COCCC[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C22H50O7Si4/c1-13-15-24-18-21(26-22(23)20(2)3)19-25-16-14-17-33(27-30(4,5)6,28-31(7,8)9)29-32(10,11)12/h21H,2,13-19H2,1,3-12H3
InChIKeyFEAPOLWYXRZPNU-UHFFFAOYSA-N
MW538.98 g/mol
LogP5.80
Rot. Bonds18

About [1-propoxy-3-[3-tris(trimethylsilyloxy)silylpropoxy]propan-2-yl] 2-methylprop-2-enoate

[1-propoxy-3-[3-tris(trimethylsilyloxy)silylpropoxy]propan-2-yl] 2-methylprop-2-enoate (PubChem CID 21037504) has the molecular formula C22H50O7Si4 and a molecular weight of 538.98 g/mol. Its IUPAC name is [1-propoxy-3-[3-tris(trimethylsilyloxy)silylpropoxy]propan-2-yl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[1-propoxy-3-[3-tris(trimethylsilyloxy)silylpropoxy]propan-2-yl] 2-methylprop-2-enoate
PubChem CID21037504
Molecular FormulaC22H50O7Si4
Molecular Weight538.98 g/mol
Exact Mass538.26
IUPAC Name[1-propoxy-3-[3-tris(trimethylsilyloxy)silylpropoxy]propan-2-yl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(COCCC)COCCC[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C22H50O7Si4/c1-13-15-24-18-21(26-22(23)20(2)3)19-25-16-14-17-33(27-30(4,5)6,28-31(7,8)9)29-32(10,11)12/h21H,2,13-19H2,1,3-12H3
InChIKeyFEAPOLWYXRZPNU-UHFFFAOYSA-N
XLogP5.80
TPSA72.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds18
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.98
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

[1-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]-3-(3-methylbuta-1,3-dien-2-yloxy)propan-2-yl] 2-methylprop-2-enoate
CID 140891427
[1-[3-[[[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]-3-hydroxypropan-2-yl] 2-methylprop-2-enoate
CID 102146077
[1-carbamoyloxy-5-tris(trimethylsilyloxy)silylpentan-2-yl] 2-methylprop-2-enoate
CID 88661534
[1-hydroxy-3-[3-tris(trimethylsilyloxy)silylpropoxy]propan-2-yl] prop-2-enoate
CID 59648758
3-tris[[dimethyl-[2-tris(trimethylsilyloxy)silylethyl]silyl]oxy]silylpropyl 2-methylprop-2-enoate
CID 88568225
[3-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]-2-hydroxypropyl] 2-methylprop-2-enoate
CID 23527263
tris(2-methylprop-2-enamide);3-tris(trimethylsilyloxy)silylpropyl 2-methylprop-2-enoate
CID 158000142
N,N-bis[2-hydroxy-3-[3-tris(trimethylsilyloxy)silylpropoxy]propyl]-2-methylprop-2-enamide;N,N-bis[2-hydroxy-3-[3-tris(trimethylsilyloxy)silylpropoxy]propyl]prop-2-enamide
CID 160528164
[1-[3-[dimethyl(trimethylsilyloxy)silyl]propoxy]-3-hydroxypropan-2-yl] prop-2-enoate;[3-[3-[dimethyl(trimethylsilyloxy)silyl]propoxy]-2-hydroxypropyl] 2-methylprop-2-enoate;[3-[3-[dimethyl(trimethylsilyloxy)silyl]propoxy]-2-hydroxypropyl] prop-2-enoate;[1-hydroxy-3-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]propan-2-yl] prop-2-enoate;[2-hydroxy-3-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]propyl] 2-methylprop-2-enoate;[2-hydroxy-3-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]propyl] prop-2-enoate;[1-hydroxy-3-[3-tris(trimethylsilyloxy)silylpropoxy]propan-2-yl] prop-2-enoate;[2-hydroxy-3-[3-tris(trimethylsilyloxy)silylpropoxy]propyl] 2-methylprop-2-enoate;[2-hydroxy-3-[3-tris(trimethylsilyloxy)silylpropoxy]propyl] prop-2-enoate
CID 160781890
[2-hydroxy-3-[3-[methyl-(2-methylprop-2-enoyloxy)-trimethylsilyloxysilyl]propoxy]propyl] 2-methylprop-2-enoate
CID 140749715
2,3-bis(3-triethoxysilylpropoxy)propyl 2-methylprop-2-enoate
CID 58695545
3-tris[tris(trimethylsilyloxy)silyloxy]silylpropyl 2-methylprop-2-enoate
CID 54059170

Frequently Asked Questions

What is the IUPAC name of [1-propoxy-3-[3-tris(trimethylsilyloxy)silylpropoxy]propan-2-yl] 2-methylprop-2-enoate?
The IUPAC name of [1-propoxy-3-[3-tris(trimethylsilyloxy)silylpropoxy]propan-2-yl] 2-methylprop-2-enoate (CID 21037504) is [1-propoxy-3-[3-tris(trimethylsilyloxy)silylpropoxy]propan-2-yl] 2-methylprop-2-enoate.
What is the SMILES notation for [1-propoxy-3-[3-tris(trimethylsilyloxy)silylpropoxy]propan-2-yl] 2-methylprop-2-enoate?
The canonical SMILES for [1-propoxy-3-[3-tris(trimethylsilyloxy)silylpropoxy]propan-2-yl] 2-methylprop-2-enoate is C=C(C)C(=O)OC(COCCC)COCCC[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C.
What is the InChIKey of [1-propoxy-3-[3-tris(trimethylsilyloxy)silylpropoxy]propan-2-yl] 2-methylprop-2-enoate?
The InChIKey is FEAPOLWYXRZPNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H50O7Si4/c1-13-15-24-18-21(26-22(23)20(2)3)19-25-16-14-17-33(27-30(4,5)6,28-31(7,8)9)29-32(10,11)12/h21H,2,13-19H2,1,3-12H3.
What are the key properties of [1-propoxy-3-[3-tris(trimethylsilyloxy)silylpropoxy]propan-2-yl] 2-methylprop-2-enoate?
[1-propoxy-3-[3-tris(trimethylsilyloxy)silylpropoxy]propan-2-yl] 2-methylprop-2-enoate has a molecular weight of 538.98 g/mol, XLogP of 5.80, 18 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-propoxy-3-[3-tris(trimethylsilyloxy)silylpropoxy]propan-2-yl] 2-methylprop-2-enoate is sourced from PubChem (CID 21037504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).