2-methylprop-2-enoyl 2-hydroxy-2-(hydroxymethyl)-5-trimethylsilylpentanoate

C13H24O5Si — CID 141329339

IUPAC2-methylprop-2-enoyl 2-hydroxy-2-(hydroxymethyl)-5-trimethylsilylpentanoate
SMILESC=C(C)C(=O)OC(=O)C(O)(CO)CCC[Si](C)(C)C
InChIInChI=1S/C13H24O5Si/c1-10(2)11(15)18-12(16)13(17,9-14)7-6-8-19(3,4)5/h14,17H,1,6-9H2,2-5H3
InChIKeyDCQIZOLCQDLBKR-UHFFFAOYSA-N
MW288.42 g/mol
LogP1.47
Rot. Bonds7

About 2-methylprop-2-enoyl 2-hydroxy-2-(hydroxymethyl)-5-trimethylsilylpentanoate

2-methylprop-2-enoyl 2-hydroxy-2-(hydroxymethyl)-5-trimethylsilylpentanoate (PubChem CID 141329339) has the molecular formula C13H24O5Si and a molecular weight of 288.42 g/mol. Its IUPAC name is 2-methylprop-2-enoyl 2-hydroxy-2-(hydroxymethyl)-5-trimethylsilylpentanoate.

Molecular Properties

Compound Name2-methylprop-2-enoyl 2-hydroxy-2-(hydroxymethyl)-5-trimethylsilylpentanoate
PubChem CID141329339
Molecular FormulaC13H24O5Si
Molecular Weight288.42 g/mol
Exact Mass288.14
IUPAC Name2-methylprop-2-enoyl 2-hydroxy-2-(hydroxymethyl)-5-trimethylsilylpentanoate
SMILESC=C(C)C(=O)OC(=O)C(O)(CO)CCC[Si](C)(C)C
InChIInChI=1S/C13H24O5Si/c1-10(2)11(15)18-12(16)13(17,9-14)7-6-8-19(3,4)5/h14,17H,1,6-9H2,2-5H3
InChIKeyDCQIZOLCQDLBKR-UHFFFAOYSA-N
XLogP1.47
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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'}

Analyze 2-methylprop-2-enoyl 2-hydroxy-2-(hydroxymethyl)-5-trimethylsilylpentanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Methylprop-2-enoyl 2-hydroxy-2-(hydroxymethyl)-5-[methyl-bis(trimethylsilyloxy)silyl]pentanoate
CID 54099461
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
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
[(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
CID 145810048
CID 145810048
2-Methylprop-2-enoyl 2-hydroxy-2-(hydroxymethyl)-3-trimethylsilylpentanoate
CID 145810090
2-Methylprop-2-enoyl 3-[[dimethyl(1-trimethylsilylethyl)silyl]oxy-dimethylsilyl]-2-hydroxy-2-(hydroxymethyl)pentanoate
CID 145810091

Frequently Asked Questions

What is the IUPAC name of 2-methylprop-2-enoyl 2-hydroxy-2-(hydroxymethyl)-5-trimethylsilylpentanoate?
The IUPAC name of 2-methylprop-2-enoyl 2-hydroxy-2-(hydroxymethyl)-5-trimethylsilylpentanoate (CID 141329339) is 2-methylprop-2-enoyl 2-hydroxy-2-(hydroxymethyl)-5-trimethylsilylpentanoate.
What is the SMILES notation for 2-methylprop-2-enoyl 2-hydroxy-2-(hydroxymethyl)-5-trimethylsilylpentanoate?
The canonical SMILES for 2-methylprop-2-enoyl 2-hydroxy-2-(hydroxymethyl)-5-trimethylsilylpentanoate is C=C(C)C(=O)OC(=O)C(O)(CO)CCC[Si](C)(C)C.
What is the InChIKey of 2-methylprop-2-enoyl 2-hydroxy-2-(hydroxymethyl)-5-trimethylsilylpentanoate?
The InChIKey is DCQIZOLCQDLBKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O5Si/c1-10(2)11(15)18-12(16)13(17,9-14)7-6-8-19(3,4)5/h14,17H,1,6-9H2,2-5H3.
What are the key properties of 2-methylprop-2-enoyl 2-hydroxy-2-(hydroxymethyl)-5-trimethylsilylpentanoate?
2-methylprop-2-enoyl 2-hydroxy-2-(hydroxymethyl)-5-trimethylsilylpentanoate has a molecular weight of 288.42 g/mol, XLogP of 1.47, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylprop-2-enoyl 2-hydroxy-2-(hydroxymethyl)-5-trimethylsilylpentanoate is sourced from PubChem (CID 141329339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).