[2-hydroxy-3-[3-[methyl-(2-methylprop-2-enoyloxy)-trimethylsilyloxysilyl]propoxy]propyl] 2-methylprop-2-enoate

C18H34O7Si2 — CID 140749715

IUPAC[2-hydroxy-3-[3-[methyl-(2-methylprop-2-enoyloxy)-trimethylsilyloxysilyl]propoxy]propyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(O)COCCC[Si](C)(OC(=O)C(=C)C)O[Si](C)(C)C
InChIInChI=1S/C18H34O7Si2/c1-14(2)17(20)23-13-16(19)12-22-10-9-11-27(8,25-26(5,6)7)24-18(21)15(3)4/h16,19H,1,3,9-13H2,2,4-8H3
InChIKeyKJMQWYOTIWGYIO-UHFFFAOYSA-N
MW418.64 g/mol
LogP2.92
Rot. Bonds13

About [2-hydroxy-3-[3-[methyl-(2-methylprop-2-enoyloxy)-trimethylsilyloxysilyl]propoxy]propyl] 2-methylprop-2-enoate

[2-hydroxy-3-[3-[methyl-(2-methylprop-2-enoyloxy)-trimethylsilyloxysilyl]propoxy]propyl] 2-methylprop-2-enoate (PubChem CID 140749715) has the molecular formula C18H34O7Si2 and a molecular weight of 418.64 g/mol. Its IUPAC name is [2-hydroxy-3-[3-[methyl-(2-methylprop-2-enoyloxy)-trimethylsilyloxysilyl]propoxy]propyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[2-hydroxy-3-[3-[methyl-(2-methylprop-2-enoyloxy)-trimethylsilyloxysilyl]propoxy]propyl] 2-methylprop-2-enoate
PubChem CID140749715
Molecular FormulaC18H34O7Si2
Molecular Weight418.64 g/mol
Exact Mass418.18
IUPAC Name[2-hydroxy-3-[3-[methyl-(2-methylprop-2-enoyloxy)-trimethylsilyloxysilyl]propoxy]propyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(O)COCCC[Si](C)(OC(=O)C(=C)C)O[Si](C)(C)C
InChIInChI=1S/C18H34O7Si2/c1-14(2)17(20)23-13-16(19)12-22-10-9-11-27(8,25-26(5,6)7)24-18(21)15(3)4/h16,19H,1,3,9-13H2,2,4-8H3
InChIKeyKJMQWYOTIWGYIO-UHFFFAOYSA-N
XLogP2.92
TPSA91.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.64
LogP ≤ 52.92
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

[3-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]-2-hydroxypropyl] 2-methylprop-2-enoate
CID 23527263
[2-hydroxy-3-[3-[[2-[[[2-[[3-[2-hydroxy-3-(2-methylprop-2-enoyloxy)propoxy]propyl-dimethylsilyl]oxy-dimethylsilyl]ethoxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxyethyl-dimethylsilyl]oxy-dimethylsilyl]propoxy]propyl] 2-methylprop-2-enoate
CID 140857272
[2-hydroxy-3-[methyl-bis(trimethylsilyloxy)silyl]propyl] 2-methylprop-2-enoate
CID 118855687
[2-hydroxy-3-[2-[2-[2-[2-hydroxy-3-(2-methylprop-2-enoyloxy)propoxy]ethoxy]ethoxy]ethoxy]propyl] 2-methylprop-2-enoate
CID 12800792
[3-[3-[[[[[[[[[[[[tert-butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyloxy-methylsilyl]propoxy]-2-hydroxypropyl] 2-methylprop-2-enoate
CID 161426531
[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
N-[3-hydroxy-4-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]butyl]-2-methylprop-2-enamide
CID 140853527
[2-hydroxy-4-(methoxy-methyl-trimethylsilyloxysilyl)butyl] 2-methylprop-2-enoate
CID 58512799
[2-hydroxy-3-[3-[3-[2-hydroxy-3-(2-methylprop-2-enoyloxy)propoxy]propylsilyloxysilyl]propoxy]propyl] 2-methylprop-2-enoate
CID 154406838
[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-hydroxy-3-[3-(1-hydroxy-3-methyl-2-oxobut-3-enoxy)propoxy]propyl] 2-methylprop-2-enoate
CID 122548998
[2-hydroxy-3-[4-[2-hydroxy-3-(2-methylprop-2-enoyloxy)propoxy]butoxy]propyl] 2,2-dimethylpropanoate
CID 123927218

Frequently Asked Questions

What is the IUPAC name of [2-hydroxy-3-[3-[methyl-(2-methylprop-2-enoyloxy)-trimethylsilyloxysilyl]propoxy]propyl] 2-methylprop-2-enoate?
The IUPAC name of [2-hydroxy-3-[3-[methyl-(2-methylprop-2-enoyloxy)-trimethylsilyloxysilyl]propoxy]propyl] 2-methylprop-2-enoate (CID 140749715) is [2-hydroxy-3-[3-[methyl-(2-methylprop-2-enoyloxy)-trimethylsilyloxysilyl]propoxy]propyl] 2-methylprop-2-enoate.
What is the SMILES notation for [2-hydroxy-3-[3-[methyl-(2-methylprop-2-enoyloxy)-trimethylsilyloxysilyl]propoxy]propyl] 2-methylprop-2-enoate?
The canonical SMILES for [2-hydroxy-3-[3-[methyl-(2-methylprop-2-enoyloxy)-trimethylsilyloxysilyl]propoxy]propyl] 2-methylprop-2-enoate is C=C(C)C(=O)OCC(O)COCCC[Si](C)(OC(=O)C(=C)C)O[Si](C)(C)C.
What is the InChIKey of [2-hydroxy-3-[3-[methyl-(2-methylprop-2-enoyloxy)-trimethylsilyloxysilyl]propoxy]propyl] 2-methylprop-2-enoate?
The InChIKey is KJMQWYOTIWGYIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34O7Si2/c1-14(2)17(20)23-13-16(19)12-22-10-9-11-27(8,25-26(5,6)7)24-18(21)15(3)4/h16,19H,1,3,9-13H2,2,4-8H3.
What are the key properties of [2-hydroxy-3-[3-[methyl-(2-methylprop-2-enoyloxy)-trimethylsilyloxysilyl]propoxy]propyl] 2-methylprop-2-enoate?
[2-hydroxy-3-[3-[methyl-(2-methylprop-2-enoyloxy)-trimethylsilyloxysilyl]propoxy]propyl] 2-methylprop-2-enoate has a molecular weight of 418.64 g/mol, XLogP of 2.92, 13 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-hydroxy-3-[3-[methyl-(2-methylprop-2-enoyloxy)-trimethylsilyloxysilyl]propoxy]propyl] 2-methylprop-2-enoate is sourced from PubChem (CID 140749715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).