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

C18H40O8Si4 — CID 141090468

IUPACprop-2-enoyl 2-hydroxy-2-(hydroxymethyl)-5-tris(trimethylsilyloxy)silylpentanoate
SMILESC=CC(=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/C18H40O8Si4/c1-11-16(20)23-17(21)18(22,15-19)13-12-14-30(24-27(2,3)4,25-28(5,6)7)26-29(8,9)10/h11,19,22H,1,12-15H2,2-10H3
InChIKeyNFXVNGFRVKNLQM-UHFFFAOYSA-N
MW496.85 g/mol
LogP3.24
Rot. Bonds13

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

prop-2-enoyl 2-hydroxy-2-(hydroxymethyl)-5-tris(trimethylsilyloxy)silylpentanoate (PubChem CID 141090468) has the molecular formula C18H40O8Si4 and a molecular weight of 496.85 g/mol. Its IUPAC name is prop-2-enoyl 2-hydroxy-2-(hydroxymethyl)-5-tris(trimethylsilyloxy)silylpentanoate.

Molecular Properties

Compound Nameprop-2-enoyl 2-hydroxy-2-(hydroxymethyl)-5-tris(trimethylsilyloxy)silylpentanoate
PubChem CID141090468
Molecular FormulaC18H40O8Si4
Molecular Weight496.85 g/mol
Exact Mass496.18
IUPAC Nameprop-2-enoyl 2-hydroxy-2-(hydroxymethyl)-5-tris(trimethylsilyloxy)silylpentanoate
SMILESC=CC(=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/C18H40O8Si4/c1-11-16(20)23-17(21)18(22,15-19)13-12-14-30(24-27(2,3)4,25-28(5,6)7)26-29(8,9)10/h11,19,22H,1,12-15H2,2-10H3
InChIKeyNFXVNGFRVKNLQM-UHFFFAOYSA-N
XLogP3.24
TPSA111.52 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.85
LogP ≤ 53.24
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
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
Prop-2-enoyl 2,3-dihydroxy-2-tris(trimethylsilyloxy)silylhexanoate
CID 87900055
Prop-2-enoyl 2,3-dihydroxy-2-[[methyl-bis(trimethylsilyloxy)silyl]oxy-bis(trimethylsilyloxy)silyl]hexanoate
CID 87900166
Prop-2-enoyl 2,3-dihydroxy-2-[methyl-bis(trimethylsilyloxy)silyl]hexanoate
CID 87900222
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
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
[(E)-2-methyl-3-tris(trimethylsilyloxy)silylprop-2-enoyl] 2-hydroxy-2-(hydroxymethyl)pentanoate
CID 141627336
CID 145747031
CID 145747031

Frequently Asked Questions

What is the IUPAC name of prop-2-enoyl 2-hydroxy-2-(hydroxymethyl)-5-tris(trimethylsilyloxy)silylpentanoate?
The IUPAC name of prop-2-enoyl 2-hydroxy-2-(hydroxymethyl)-5-tris(trimethylsilyloxy)silylpentanoate (CID 141090468) is prop-2-enoyl 2-hydroxy-2-(hydroxymethyl)-5-tris(trimethylsilyloxy)silylpentanoate.
What is the SMILES notation for prop-2-enoyl 2-hydroxy-2-(hydroxymethyl)-5-tris(trimethylsilyloxy)silylpentanoate?
The canonical SMILES for prop-2-enoyl 2-hydroxy-2-(hydroxymethyl)-5-tris(trimethylsilyloxy)silylpentanoate is C=CC(=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 prop-2-enoyl 2-hydroxy-2-(hydroxymethyl)-5-tris(trimethylsilyloxy)silylpentanoate?
The InChIKey is NFXVNGFRVKNLQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H40O8Si4/c1-11-16(20)23-17(21)18(22,15-19)13-12-14-30(24-27(2,3)4,25-28(5,6)7)26-29(8,9)10/h11,19,22H,1,12-15H2,2-10H3.
What are the key properties of prop-2-enoyl 2-hydroxy-2-(hydroxymethyl)-5-tris(trimethylsilyloxy)silylpentanoate?
prop-2-enoyl 2-hydroxy-2-(hydroxymethyl)-5-tris(trimethylsilyloxy)silylpentanoate has a molecular weight of 496.85 g/mol, XLogP of 3.24, 13 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enoyl 2-hydroxy-2-(hydroxymethyl)-5-tris(trimethylsilyloxy)silylpentanoate is sourced from PubChem (CID 141090468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).