[3-[3-bis(trimethylsilyloxy)silylpropoxy]-2-hydroxypropyl] but-2-enoate

C16H36O6Si3 — CID 123192869

IUPAC[3-[3-bis(trimethylsilyloxy)silylpropoxy]-2-hydroxypropyl] but-2-enoate
SMILESCC=CC(=O)OCC(O)COCCC[SiH](O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C16H36O6Si3/c1-8-10-16(18)20-14-15(17)13-19-11-9-12-23(21-24(2,3)4)22-25(5,6)7/h8,10,15,17,23H,9,11-14H2,1-7H3
InChIKeyZDNRVFJUKRZINF-UHFFFAOYSA-N
MW408.72 g/mol
LogP2.80
Rot. Bonds13

About [3-[3-bis(trimethylsilyloxy)silylpropoxy]-2-hydroxypropyl] but-2-enoate

[3-[3-bis(trimethylsilyloxy)silylpropoxy]-2-hydroxypropyl] but-2-enoate (PubChem CID 123192869) has the molecular formula C16H36O6Si3 and a molecular weight of 408.72 g/mol. Its IUPAC name is [3-[3-bis(trimethylsilyloxy)silylpropoxy]-2-hydroxypropyl] but-2-enoate.

Molecular Properties

Compound Name[3-[3-bis(trimethylsilyloxy)silylpropoxy]-2-hydroxypropyl] but-2-enoate
PubChem CID123192869
Molecular FormulaC16H36O6Si3
Molecular Weight408.72 g/mol
Exact Mass408.18
IUPAC Name[3-[3-bis(trimethylsilyloxy)silylpropoxy]-2-hydroxypropyl] but-2-enoate
SMILESCC=CC(=O)OCC(O)COCCC[SiH](O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C16H36O6Si3/c1-8-10-16(18)20-14-15(17)13-19-11-9-12-23(21-24(2,3)4)22-25(5,6)7/h8,10,15,17,23H,9,11-14H2,1-7H3
InChIKeyZDNRVFJUKRZINF-UHFFFAOYSA-N
XLogP2.80
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.72
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-[4-(3-but-2-enoyloxy-2-hydroxypropoxy)butoxy]-2-hydroxypropyl] but-2-enoate
CID 57242154
[3-[3-[[3-(3-but-2-enoyloxy-2-hydroxypropoxy)propyl-dimethylsilyl]oxy-dimethylsilyl]propoxy]-2-hydroxypropyl] but-2-enoate
CID 123160039
[3-[3-(3-but-2-enoyloxy-2-hydroxypropoxy)-2,2-bis[(3-but-2-enoyloxy-2-hydroxypropoxy)methyl]propoxy]-2-hydroxypropyl] but-2-enoate
CID 141469566
3-dimethoxysilylpropyl but-2-enoate
CID 123850161
[3-[3-(3-but-2-enoyloxy-2-hydroxypropoxy)-2-[[3-(3-but-2-enoyloxy-2-hydroxypropoxy)-2,2-bis[(3-but-2-enoyloxy-2-hydroxypropoxy)methyl]propoxy]methyl]-2-[(3-but-2-enoyloxy-2-hydroxypropoxy)methyl]propoxy]-2-hydroxypropyl] but-2-enoate
CID 141469584
[3-[2-(3-but-2-enoyloxy-2-hydroxypropoxy)propoxy]-2-hydroxypropyl] but-2-enoate
CID 57016546
[2-hydroxy-3-[(2S,3R,4R,5R)-2,3,4,5,6-pentakis(3-but-2-enoyloxy-2-hydroxypropoxy)hexoxy]propyl] but-2-enoate
CID 141469644
[3-[(3-but-2-enoyloxy-2-hydroxypropyl)-propan-2-ylamino]-2-hydroxypropyl] but-2-enoate
CID 141067910
[2-hydroxy-3-[(2R,3S,4R)-2,3,4-tris(3-but-2-enoyloxy-2-hydroxypropoxy)-5-oxopentoxy]propyl] but-2-enoate
CID 141469611
3-(3-trimethoxysilylpropoxy)propyl but-2-enoate
CID 141411136
[3-[(Z)-but-2-enoyl]oxy-2-[[(Z)-but-2-enoyl]oxymethyl]propyl] (Z)-but-2-enoate
CID 101312278
(3-but-2-enoyloxy-2-hydroxypropyl)-dimethylazanium iodide
CID 141251209

Frequently Asked Questions

What is the IUPAC name of [3-[3-bis(trimethylsilyloxy)silylpropoxy]-2-hydroxypropyl] but-2-enoate?
The IUPAC name of [3-[3-bis(trimethylsilyloxy)silylpropoxy]-2-hydroxypropyl] but-2-enoate (CID 123192869) is [3-[3-bis(trimethylsilyloxy)silylpropoxy]-2-hydroxypropyl] but-2-enoate.
What is the SMILES notation for [3-[3-bis(trimethylsilyloxy)silylpropoxy]-2-hydroxypropyl] but-2-enoate?
The canonical SMILES for [3-[3-bis(trimethylsilyloxy)silylpropoxy]-2-hydroxypropyl] but-2-enoate is CC=CC(=O)OCC(O)COCCC[SiH](O[Si](C)(C)C)O[Si](C)(C)C.
What is the InChIKey of [3-[3-bis(trimethylsilyloxy)silylpropoxy]-2-hydroxypropyl] but-2-enoate?
The InChIKey is ZDNRVFJUKRZINF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36O6Si3/c1-8-10-16(18)20-14-15(17)13-19-11-9-12-23(21-24(2,3)4)22-25(5,6)7/h8,10,15,17,23H,9,11-14H2,1-7H3.
What are the key properties of [3-[3-bis(trimethylsilyloxy)silylpropoxy]-2-hydroxypropyl] but-2-enoate?
[3-[3-bis(trimethylsilyloxy)silylpropoxy]-2-hydroxypropyl] but-2-enoate has a molecular weight of 408.72 g/mol, XLogP of 2.80, 13 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-bis(trimethylsilyloxy)silylpropoxy]-2-hydroxypropyl] but-2-enoate is sourced from PubChem (CID 123192869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).