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

C15H30O6Si2 — CID 139750816

IUPAC2-methylprop-2-enoyl 5-[dimethyl(trimethylsilyloxy)silyl]-2-hydroxy-2-(hydroxymethyl)pentanoate
SMILESC=C(C)C(=O)OC(=O)C(O)(CO)CCC[Si](C)(C)O[Si](C)(C)C
InChIInChI=1S/C15H30O6Si2/c1-12(2)13(17)20-14(18)15(19,11-16)9-8-10-23(6,7)21-22(3,4)5/h16,19H,1,8-11H2,2-7H3
InChIKeyRVYSOZZLUFYDFK-UHFFFAOYSA-N
MW362.57 g/mol
LogP2.19
Rot. Bonds9

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

2-methylprop-2-enoyl 5-[dimethyl(trimethylsilyloxy)silyl]-2-hydroxy-2-(hydroxymethyl)pentanoate (PubChem CID 139750816) has the molecular formula C15H30O6Si2 and a molecular weight of 362.57 g/mol. Its IUPAC name is 2-methylprop-2-enoyl 5-[dimethyl(trimethylsilyloxy)silyl]-2-hydroxy-2-(hydroxymethyl)pentanoate.

Molecular Properties

Compound Name2-methylprop-2-enoyl 5-[dimethyl(trimethylsilyloxy)silyl]-2-hydroxy-2-(hydroxymethyl)pentanoate
PubChem CID139750816
Molecular FormulaC15H30O6Si2
Molecular Weight362.57 g/mol
Exact Mass362.16
IUPAC Name2-methylprop-2-enoyl 5-[dimethyl(trimethylsilyloxy)silyl]-2-hydroxy-2-(hydroxymethyl)pentanoate
SMILESC=C(C)C(=O)OC(=O)C(O)(CO)CCC[Si](C)(C)O[Si](C)(C)C
InChIInChI=1S/C15H30O6Si2/c1-12(2)13(17)20-14(18)15(19,11-16)9-8-10-23(6,7)21-22(3,4)5/h16,19H,1,8-11H2,2-7H3
InChIKeyRVYSOZZLUFYDFK-UHFFFAOYSA-N
XLogP2.19
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.57
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-[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 2,3-dihydroxy-2-trimethylsilylhexanoate
CID 87900184
2-Methylprop-2-enoyl 2-hydroxy-2-(hydroxymethyl)-5-tris(trimethylsilyloxy)silylpentanoate
CID 139715012
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
[(E)-2-methyl-3-tris(trimethylsilyloxy)silylprop-2-enoyl] 2-hydroxy-2-(hydroxymethyl)pentanoate
CID 141627336
2-Methylprop-2-enoyl 2-hydroxy-2-(hydroxymethyl)pentanoate
CID 142723454

Frequently Asked Questions

What is the IUPAC name of 2-methylprop-2-enoyl 5-[dimethyl(trimethylsilyloxy)silyl]-2-hydroxy-2-(hydroxymethyl)pentanoate?
The IUPAC name of 2-methylprop-2-enoyl 5-[dimethyl(trimethylsilyloxy)silyl]-2-hydroxy-2-(hydroxymethyl)pentanoate (CID 139750816) is 2-methylprop-2-enoyl 5-[dimethyl(trimethylsilyloxy)silyl]-2-hydroxy-2-(hydroxymethyl)pentanoate.
What is the SMILES notation for 2-methylprop-2-enoyl 5-[dimethyl(trimethylsilyloxy)silyl]-2-hydroxy-2-(hydroxymethyl)pentanoate?
The canonical SMILES for 2-methylprop-2-enoyl 5-[dimethyl(trimethylsilyloxy)silyl]-2-hydroxy-2-(hydroxymethyl)pentanoate is C=C(C)C(=O)OC(=O)C(O)(CO)CCC[Si](C)(C)O[Si](C)(C)C.
What is the InChIKey of 2-methylprop-2-enoyl 5-[dimethyl(trimethylsilyloxy)silyl]-2-hydroxy-2-(hydroxymethyl)pentanoate?
The InChIKey is RVYSOZZLUFYDFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O6Si2/c1-12(2)13(17)20-14(18)15(19,11-16)9-8-10-23(6,7)21-22(3,4)5/h16,19H,1,8-11H2,2-7H3.
What are the key properties of 2-methylprop-2-enoyl 5-[dimethyl(trimethylsilyloxy)silyl]-2-hydroxy-2-(hydroxymethyl)pentanoate?
2-methylprop-2-enoyl 5-[dimethyl(trimethylsilyloxy)silyl]-2-hydroxy-2-(hydroxymethyl)pentanoate has a molecular weight of 362.57 g/mol, XLogP of 2.19, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylprop-2-enoyl 5-[dimethyl(trimethylsilyloxy)silyl]-2-hydroxy-2-(hydroxymethyl)pentanoate is sourced from PubChem (CID 139750816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).