2-methylprop-2-enoyl 2-hydroxy-2-(hydroxymethyl)-5-[methyl-bis(trimethylsilyloxy)silyl]pentanoate

C17H36O7Si3 — CID 54099461

IUPAC2-methylprop-2-enoyl 2-hydroxy-2-(hydroxymethyl)-5-[methyl-bis(trimethylsilyloxy)silyl]pentanoate
SMILESC=C(C)C(=O)OC(=O)C(O)(CO)CCC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C17H36O7Si3/c1-14(2)15(19)22-16(20)17(21,13-18)11-10-12-27(9,23-25(3,4)5)24-26(6,7)8/h18,21H,1,10-13H2,2-9H3
InChIKeyMZNJLYDPJUCJBS-UHFFFAOYSA-N
MW436.73 g/mol
LogP2.91
Rot. Bonds11

About 2-methylprop-2-enoyl 2-hydroxy-2-(hydroxymethyl)-5-[methyl-bis(trimethylsilyloxy)silyl]pentanoate

2-methylprop-2-enoyl 2-hydroxy-2-(hydroxymethyl)-5-[methyl-bis(trimethylsilyloxy)silyl]pentanoate (PubChem CID 54099461) has the molecular formula C17H36O7Si3 and a molecular weight of 436.73 g/mol. Its IUPAC name is 2-methylprop-2-enoyl 2-hydroxy-2-(hydroxymethyl)-5-[methyl-bis(trimethylsilyloxy)silyl]pentanoate.

Molecular Properties

Compound Name2-methylprop-2-enoyl 2-hydroxy-2-(hydroxymethyl)-5-[methyl-bis(trimethylsilyloxy)silyl]pentanoate
PubChem CID54099461
Molecular FormulaC17H36O7Si3
Molecular Weight436.73 g/mol
Exact Mass436.18
IUPAC Name2-methylprop-2-enoyl 2-hydroxy-2-(hydroxymethyl)-5-[methyl-bis(trimethylsilyloxy)silyl]pentanoate
SMILESC=C(C)C(=O)OC(=O)C(O)(CO)CCC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C17H36O7Si3/c1-14(2)15(19)22-16(20)17(21,13-18)11-10-12-27(9,23-25(3,4)5)24-26(6,7)8/h18,21H,1,10-13H2,2-9H3
InChIKeyMZNJLYDPJUCJBS-UHFFFAOYSA-N
XLogP2.91
TPSA102.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.73
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

[1,2-Dihydroxy-5-[methyl-bis(trimethylsilyloxy)silyl]pentan-3-yl] 2-methylprop-2-enoate
CID 54001473
[1,2-Dihydroxy-5-tris(trimethylsilyloxy)silylpentan-3-yl] 2-methylprop-2-enoate
CID 54385608
[2-(2,3-Dihydroxypropoxy)-5-[methyl-bis(trimethylsilyloxy)silyl]pentyl] 2-methylprop-2-enoate
CID 57022023
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-Methylprop-2-enoyl 2-hydroxy-2-(hydroxymethyl)-5-tris(trimethylsilyloxy)silylpentanoate
CID 139715012
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-[methyl-bis(trimethylsilyloxy)silyl]pentanoate?
The IUPAC name of 2-methylprop-2-enoyl 2-hydroxy-2-(hydroxymethyl)-5-[methyl-bis(trimethylsilyloxy)silyl]pentanoate (CID 54099461) is 2-methylprop-2-enoyl 2-hydroxy-2-(hydroxymethyl)-5-[methyl-bis(trimethylsilyloxy)silyl]pentanoate.
What is the SMILES notation for 2-methylprop-2-enoyl 2-hydroxy-2-(hydroxymethyl)-5-[methyl-bis(trimethylsilyloxy)silyl]pentanoate?
The canonical SMILES for 2-methylprop-2-enoyl 2-hydroxy-2-(hydroxymethyl)-5-[methyl-bis(trimethylsilyloxy)silyl]pentanoate is C=C(C)C(=O)OC(=O)C(O)(CO)CCC[Si](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-[methyl-bis(trimethylsilyloxy)silyl]pentanoate?
The InChIKey is MZNJLYDPJUCJBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36O7Si3/c1-14(2)15(19)22-16(20)17(21,13-18)11-10-12-27(9,23-25(3,4)5)24-26(6,7)8/h18,21H,1,10-13H2,2-9H3.
What are the key properties of 2-methylprop-2-enoyl 2-hydroxy-2-(hydroxymethyl)-5-[methyl-bis(trimethylsilyloxy)silyl]pentanoate?
2-methylprop-2-enoyl 2-hydroxy-2-(hydroxymethyl)-5-[methyl-bis(trimethylsilyloxy)silyl]pentanoate has a molecular weight of 436.73 g/mol, XLogP of 2.91, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylprop-2-enoyl 2-hydroxy-2-(hydroxymethyl)-5-[methyl-bis(trimethylsilyloxy)silyl]pentanoate is sourced from PubChem (CID 54099461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).