2-methylprop-2-enoyl 2-hydroxy-2-(hydroxymethyl)-5-tris(trimethylsilyloxy)silylpentanoate

C19H42O8Si4 — CID 139715012

IUPAC2-methylprop-2-enoyl 2-hydroxy-2-(hydroxymethyl)-5-tris(trimethylsilyloxy)silylpentanoate
SMILESC=C(C)C(=O)OC(=O)C(O)(CO)CCC[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C19H42O8Si4/c1-16(2)17(21)24-18(22)19(23,15-20)13-12-14-31(25-28(3,4)5,26-29(6,7)8)27-30(9,10)11/h20,23H,1,12-15H2,2-11H3
InChIKeyIPEWFTZAQOQWQF-UHFFFAOYSA-N
MW510.88 g/mol
LogP3.63
Rot. Bonds13

About 2-methylprop-2-enoyl 2-hydroxy-2-(hydroxymethyl)-5-tris(trimethylsilyloxy)silylpentanoate

2-methylprop-2-enoyl 2-hydroxy-2-(hydroxymethyl)-5-tris(trimethylsilyloxy)silylpentanoate (PubChem CID 139715012) has the molecular formula C19H42O8Si4 and a molecular weight of 510.88 g/mol. Its IUPAC name is 2-methylprop-2-enoyl 2-hydroxy-2-(hydroxymethyl)-5-tris(trimethylsilyloxy)silylpentanoate.

Molecular Properties

Compound Name2-methylprop-2-enoyl 2-hydroxy-2-(hydroxymethyl)-5-tris(trimethylsilyloxy)silylpentanoate
PubChem CID139715012
Molecular FormulaC19H42O8Si4
Molecular Weight510.88 g/mol
Exact Mass510.20
IUPAC Name2-methylprop-2-enoyl 2-hydroxy-2-(hydroxymethyl)-5-tris(trimethylsilyloxy)silylpentanoate
SMILESC=C(C)C(=O)OC(=O)C(O)(CO)CCC[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C19H42O8Si4/c1-16(2)17(21)24-18(22)19(23,15-20)13-12-14-31(25-28(3,4)5,26-29(6,7)8)27-30(9,10)11/h20,23H,1,12-15H2,2-11H3
InChIKeyIPEWFTZAQOQWQF-UHFFFAOYSA-N
XLogP3.63
TPSA111.52 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.88
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-Methylprop-2-enoyl 2-hydroxy-2-(hydroxymethyl)-5-[methyl-bis(trimethylsilyloxy)silyl]pentanoate
CID 54099461
[1,2-Dihydroxy-5-tris[[dimethyl(trimethylsilyloxy)silyl]oxy]silylpentan-3-yl] 2-methylprop-2-enoate
CID 54179685
2-[1-(2-Methylpropanoyloxy)-3-(2-methylprop-2-enoyloxy)propan-2-yl]oxycarbonyl-5-trimethoxysilylpentanoic acid
CID 58897713
2-Methylprop-2-enoyl 2,3-dihydroxy-2-[methyl-bis(trimethylsilyloxy)silyl]hexanoate
CID 87238021
2-Methylprop-2-enoyl 2,3-dihydroxy-2-tris(trimethylsilyloxy)silylhexanoate
CID 87238025
2-Methylprop-2-enoyl 2,3-dihydroxy-2-[[methyl-bis(trimethylsilyloxy)silyl]oxy-bis(trimethylsilyloxy)silyl]hexanoate
CID 87900034
2-Methylprop-2-enoyl 2-[dimethyl(trimethylsilyloxy)silyl]-2,3-dihydroxyhexanoate
CID 87900096
[2-(2,3-Dihydroxypropoxy)-5-tris(trimethylsilyloxy)silylpentyl] 2-methylprop-2-enoate
CID 88488653
2-Methylprop-2-enoyl 5-[dimethyl(trimethylsilyloxy)silyl]-2-hydroxy-2-(hydroxymethyl)pentanoate
CID 139750816
Prop-2-enoyl 2-hydroxy-2-(hydroxymethyl)-5-tris(trimethylsilyloxy)silylpentanoate
CID 141090468
2-Methylprop-2-enoyl 2-hydroxy-2-(hydroxymethyl)-5-trimethylsilylpentanoate
CID 141329339
[(E)-2-methyl-3-trimethylsilylprop-2-enoyl] 2-hydroxy-2-(hydroxymethyl)pentanoate
CID 141627331

Frequently Asked Questions

What is the IUPAC name of 2-methylprop-2-enoyl 2-hydroxy-2-(hydroxymethyl)-5-tris(trimethylsilyloxy)silylpentanoate?
The IUPAC name of 2-methylprop-2-enoyl 2-hydroxy-2-(hydroxymethyl)-5-tris(trimethylsilyloxy)silylpentanoate (CID 139715012) is 2-methylprop-2-enoyl 2-hydroxy-2-(hydroxymethyl)-5-tris(trimethylsilyloxy)silylpentanoate.
What is the SMILES notation for 2-methylprop-2-enoyl 2-hydroxy-2-(hydroxymethyl)-5-tris(trimethylsilyloxy)silylpentanoate?
The canonical SMILES for 2-methylprop-2-enoyl 2-hydroxy-2-(hydroxymethyl)-5-tris(trimethylsilyloxy)silylpentanoate is C=C(C)C(=O)OC(=O)C(O)(CO)CCC[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C.
What is the InChIKey of 2-methylprop-2-enoyl 2-hydroxy-2-(hydroxymethyl)-5-tris(trimethylsilyloxy)silylpentanoate?
The InChIKey is IPEWFTZAQOQWQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H42O8Si4/c1-16(2)17(21)24-18(22)19(23,15-20)13-12-14-31(25-28(3,4)5,26-29(6,7)8)27-30(9,10)11/h20,23H,1,12-15H2,2-11H3.
What are the key properties of 2-methylprop-2-enoyl 2-hydroxy-2-(hydroxymethyl)-5-tris(trimethylsilyloxy)silylpentanoate?
2-methylprop-2-enoyl 2-hydroxy-2-(hydroxymethyl)-5-tris(trimethylsilyloxy)silylpentanoate has a molecular weight of 510.88 g/mol, XLogP of 3.63, 13 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylprop-2-enoyl 2-hydroxy-2-(hydroxymethyl)-5-tris(trimethylsilyloxy)silylpentanoate is sourced from PubChem (CID 139715012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).