[1-hydroxy-3-[3-tris(trimethylsilyloxy)silylpropoxy]propan-2-yl] prop-2-enoate

C18H42O7Si4 — CID 59648758

IUPAC[1-hydroxy-3-[3-tris(trimethylsilyloxy)silylpropoxy]propan-2-yl] prop-2-enoate
SMILESC=CC(=O)OC(CO)COCCC[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C18H42O7Si4/c1-11-18(20)22-17(15-19)16-21-13-12-14-29(23-26(2,3)4,24-27(5,6)7)25-28(8,9)10/h11,17,19H,1,12-16H2,2-10H3
InChIKeyYDSSONZZEGXFMS-UHFFFAOYSA-N
MW482.87 g/mol
LogP3.98
Rot. Bonds15

About [1-hydroxy-3-[3-tris(trimethylsilyloxy)silylpropoxy]propan-2-yl] prop-2-enoate

[1-hydroxy-3-[3-tris(trimethylsilyloxy)silylpropoxy]propan-2-yl] prop-2-enoate (PubChem CID 59648758) has the molecular formula C18H42O7Si4 and a molecular weight of 482.87 g/mol. Its IUPAC name is [1-hydroxy-3-[3-tris(trimethylsilyloxy)silylpropoxy]propan-2-yl] prop-2-enoate.

Molecular Properties

Compound Name[1-hydroxy-3-[3-tris(trimethylsilyloxy)silylpropoxy]propan-2-yl] prop-2-enoate
PubChem CID59648758
Molecular FormulaC18H42O7Si4
Molecular Weight482.87 g/mol
Exact Mass482.20
IUPAC Name[1-hydroxy-3-[3-tris(trimethylsilyloxy)silylpropoxy]propan-2-yl] prop-2-enoate
SMILESC=CC(=O)OC(CO)COCCC[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C18H42O7Si4/c1-11-18(20)22-17(15-19)16-21-13-12-14-29(23-26(2,3)4,24-27(5,6)7)25-28(8,9)10/h11,17,19H,1,12-16H2,2-10H3
InChIKeyYDSSONZZEGXFMS-UHFFFAOYSA-N
XLogP3.98
TPSA83.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds15
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.87
LogP ≤ 53.98
H-Bond Donors ≤ 51
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-[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
3-[3-tris(trimethylsilyloxy)silylpropoxy]propyl prop-2-enoate
CID 59642122
[1-acetyloxy-3-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]propan-2-yl] prop-2-enoate;[2-acetyloxy-3-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]propyl] prop-2-enoate
CID 159523773
1-tris(trimethylsilyloxy)silylbutan-2-yl prop-2-enoate
CID 18949618
[1-propoxy-3-[3-tris(trimethylsilyloxy)silylpropoxy]propan-2-yl] 2-methylprop-2-enoate
CID 21037504
3-tris[[dimethyl(trimethylsilyl)silyl]oxy]silylpropyl prop-2-enoate
CID 87282260
[1-hydroxy-3-(2,2,2-trifluoroethoxy)propan-2-yl] prop-2-enoate
CID 143704961
[1-hydroxy-3-(oxiran-2-ylmethoxy)propan-2-yl] prop-2-enoate
CID 88624989
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
methane;2-methoxy-3-[3-[[2-[methoxy-bis(trimethylsilyloxy)silyl]ethyl-dimethylsilyl]oxy-dimethylsilyl]propoxy]propan-1-ol
CID 160521997
[1-[3-[[[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]-3-hydroxypropan-2-yl] 2-methylprop-2-enoate
CID 102146077
3-[[dimethoxy(3-prop-2-enoyloxypropyl)silyl]oxy-dimethoxysilyl]propyl prop-2-enoate
CID 18468769

Frequently Asked Questions

What is the IUPAC name of [1-hydroxy-3-[3-tris(trimethylsilyloxy)silylpropoxy]propan-2-yl] prop-2-enoate?
The IUPAC name of [1-hydroxy-3-[3-tris(trimethylsilyloxy)silylpropoxy]propan-2-yl] prop-2-enoate (CID 59648758) is [1-hydroxy-3-[3-tris(trimethylsilyloxy)silylpropoxy]propan-2-yl] prop-2-enoate.
What is the SMILES notation for [1-hydroxy-3-[3-tris(trimethylsilyloxy)silylpropoxy]propan-2-yl] prop-2-enoate?
The canonical SMILES for [1-hydroxy-3-[3-tris(trimethylsilyloxy)silylpropoxy]propan-2-yl] prop-2-enoate is C=CC(=O)OC(CO)COCCC[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C.
What is the InChIKey of [1-hydroxy-3-[3-tris(trimethylsilyloxy)silylpropoxy]propan-2-yl] prop-2-enoate?
The InChIKey is YDSSONZZEGXFMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H42O7Si4/c1-11-18(20)22-17(15-19)16-21-13-12-14-29(23-26(2,3)4,24-27(5,6)7)25-28(8,9)10/h11,17,19H,1,12-16H2,2-10H3.
What are the key properties of [1-hydroxy-3-[3-tris(trimethylsilyloxy)silylpropoxy]propan-2-yl] prop-2-enoate?
[1-hydroxy-3-[3-tris(trimethylsilyloxy)silylpropoxy]propan-2-yl] prop-2-enoate has a molecular weight of 482.87 g/mol, XLogP of 3.98, 15 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-hydroxy-3-[3-tris(trimethylsilyloxy)silylpropoxy]propan-2-yl] prop-2-enoate is sourced from PubChem (CID 59648758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).