[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

C36H76O14Si6 — CID 159523773

IUPAC[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
SMILESC=CC(=O)OC(COCCC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C)COC(C)=O.C=CC(=O)OCC(COCCC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C)OC(C)=O
InChIInChI=1S/2C18H38O7Si3/c1-10-18(20)22-15-17(23-16(2)19)14-21-12-11-13-28(9,24-26(3,4)5)25-27(6,7)8;1-10-18(20)23-17(15-22-16(2)19)14-21-12-11-13-28(9,24-26(3,4)5)25-27(6,7)8/h2*10,17H,1,11-15H2,2-9H3
InChIKeyMCDBXRQLUGMLRF-UHFFFAOYSA-N
MW901.51 g/mol
LogP7.66
Rot. Bonds28

About [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

[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 (PubChem CID 159523773) has the molecular formula C36H76O14Si6 and a molecular weight of 901.51 g/mol. Its IUPAC name is [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.

Molecular Properties

Compound Name[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
PubChem CID159523773
Molecular FormulaC36H76O14Si6
Molecular Weight901.51 g/mol
Exact Mass900.39
IUPAC Name[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
SMILESC=CC(=O)OC(COCCC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C)COC(C)=O.C=CC(=O)OCC(COCCC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C)OC(C)=O
InChIInChI=1S/2C18H38O7Si3/c1-10-18(20)22-15-17(23-16(2)19)14-21-12-11-13-28(9,24-26(3,4)5)25-27(6,7)8;1-10-18(20)23-17(15-22-16(2)19)14-21-12-11-13-28(9,24-26(3,4)5)25-27(6,7)8/h2*10,17H,1,11-15H2,2-9H3
InChIKeyMCDBXRQLUGMLRF-UHFFFAOYSA-N
XLogP7.66
TPSA160.58 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds28
Heavy Atoms56
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500901.51
LogP ≤ 57.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'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-hydroxy-3-[3-tris(trimethylsilyloxy)silylpropoxy]propan-2-yl] prop-2-enoate
CID 59648758
[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
[1-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]-3-(3-methylbuta-1,3-dien-2-yloxy)propan-2-yl] 2-methylprop-2-enoate
CID 140891427
(2-acetyloxy-3-butoxypropyl) acetate
CID 14173108
2-[2-[4-[[4-[2-[1-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]-3-[[4-[[4-[4-[2-[4-[[4-(2-prop-2-enoyloxyethoxycarbonylamino)cyclohexyl]methyl]cyclohexyl]acetyl]oxybutoxycarbonylamino]cyclohexyl]methyl]cyclohexyl]carbamoyloxy]propan-2-yl]oxy-2-oxoethyl]cyclohexyl]methyl]cyclohexyl]acetyl]oxyethyl prop-2-enoate
CID 157153095
[3-[4-(3-acetyloxy-2-hydroxypropoxy)butoxy]-2-(butylcarbamoyloxy)propyl] prop-2-enoate
CID 123668303
4,5-di(prop-2-enoyloxy)pentyl prop-2-enoate
CID 58231919
2-prop-2-enoyloxyheptyl prop-2-enoate
CID 123616440
4-[3-(4-methoxyphenoxy)-2-prop-2-enoyloxypropoxy]butyl prop-2-enoate
CID 145123352
3-[3-tris(trimethylsilyloxy)silylpropoxy]propyl prop-2-enoate
CID 59642122
(3-acetyloxy-2-prop-2-enoyloxypropyl) 3-[2-[bis[3-[2,3-di(prop-2-enoyloxy)propoxy]-3-oxopropyl]amino]ethyl-[3-[2,3-di(prop-2-enoyloxy)propoxy]-3-oxopropyl]amino]propanoate
CID 140919836
(2-acetyloxy-3-tetracos-17-enoxypropyl) acetate
CID 162800520

Frequently Asked Questions

What is the IUPAC name of [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?
The IUPAC name of [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) is [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.
What is the SMILES notation for [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?
The canonical SMILES for [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 is C=CC(=O)OC(COCCC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C)COC(C)=O.C=CC(=O)OCC(COCCC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C)OC(C)=O.
What is the InChIKey of [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?
The InChIKey is MCDBXRQLUGMLRF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H38O7Si3/c1-10-18(20)22-15-17(23-16(2)19)14-21-12-11-13-28(9,24-26(3,4)5)25-27(6,7)8;1-10-18(20)23-17(15-22-16(2)19)14-21-12-11-13-28(9,24-26(3,4)5)25-27(6,7)8/h2*10,17H,1,11-15H2,2-9H3.
What are the key properties of [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?
[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 has a molecular weight of 901.51 g/mol, XLogP of 7.66, 28 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for [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 is sourced from PubChem (CID 159523773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).