[2-(2,3-dihydroxypropoxy)-5-[methyl-bis(trimethylsilyloxy)silyl]pentyl] 2-methylprop-2-enoate

C19H42O7Si3 — CID 57022023

IUPAC[2-(2,3-dihydroxypropoxy)-5-[methyl-bis(trimethylsilyloxy)silyl]pentyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(CCC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C)OCC(O)CO
InChIInChI=1S/C19H42O7Si3/c1-16(2)19(22)24-15-18(23-14-17(21)13-20)11-10-12-29(9,25-27(3,4)5)26-28(6,7)8/h17-18,20-21H,1,10-15H2,2-9H3
InChIKeyDRKPVQPBPQPSFM-UHFFFAOYSA-N
MW466.80 g/mol
LogP3.40
Rot. Bonds15

About [2-(2,3-dihydroxypropoxy)-5-[methyl-bis(trimethylsilyloxy)silyl]pentyl] 2-methylprop-2-enoate

[2-(2,3-dihydroxypropoxy)-5-[methyl-bis(trimethylsilyloxy)silyl]pentyl] 2-methylprop-2-enoate (PubChem CID 57022023) has the molecular formula C19H42O7Si3 and a molecular weight of 466.80 g/mol. Its IUPAC name is [2-(2,3-dihydroxypropoxy)-5-[methyl-bis(trimethylsilyloxy)silyl]pentyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[2-(2,3-dihydroxypropoxy)-5-[methyl-bis(trimethylsilyloxy)silyl]pentyl] 2-methylprop-2-enoate
PubChem CID57022023
Molecular FormulaC19H42O7Si3
Molecular Weight466.80 g/mol
Exact Mass466.22
IUPAC Name[2-(2,3-dihydroxypropoxy)-5-[methyl-bis(trimethylsilyloxy)silyl]pentyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(CCC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C)OCC(O)CO
InChIInChI=1S/C19H42O7Si3/c1-16(2)19(22)24-15-18(23-14-17(21)13-20)11-10-12-29(9,25-27(3,4)5)26-28(6,7)8/h17-18,20-21H,1,10-15H2,2-9H3
InChIKeyDRKPVQPBPQPSFM-UHFFFAOYSA-N
XLogP3.40
TPSA94.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds15
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.80
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze [2-(2,3-dihydroxypropoxy)-5-[methyl-bis(trimethylsilyloxy)silyl]pentyl] 2-methylprop-2-enoate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-(2,3-dihydroxypropoxy)-5-[methyl-bis(trimethylsilyloxy)silyl]pentyl] 2-methylprop-2-enoate?
The IUPAC name of [2-(2,3-dihydroxypropoxy)-5-[methyl-bis(trimethylsilyloxy)silyl]pentyl] 2-methylprop-2-enoate (CID 57022023) is [2-(2,3-dihydroxypropoxy)-5-[methyl-bis(trimethylsilyloxy)silyl]pentyl] 2-methylprop-2-enoate.
What is the SMILES notation for [2-(2,3-dihydroxypropoxy)-5-[methyl-bis(trimethylsilyloxy)silyl]pentyl] 2-methylprop-2-enoate?
The canonical SMILES for [2-(2,3-dihydroxypropoxy)-5-[methyl-bis(trimethylsilyloxy)silyl]pentyl] 2-methylprop-2-enoate is C=C(C)C(=O)OCC(CCC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C)OCC(O)CO.
What is the InChIKey of [2-(2,3-dihydroxypropoxy)-5-[methyl-bis(trimethylsilyloxy)silyl]pentyl] 2-methylprop-2-enoate?
The InChIKey is DRKPVQPBPQPSFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H42O7Si3/c1-16(2)19(22)24-15-18(23-14-17(21)13-20)11-10-12-29(9,25-27(3,4)5)26-28(6,7)8/h17-18,20-21H,1,10-15H2,2-9H3.
What are the key properties of [2-(2,3-dihydroxypropoxy)-5-[methyl-bis(trimethylsilyloxy)silyl]pentyl] 2-methylprop-2-enoate?
[2-(2,3-dihydroxypropoxy)-5-[methyl-bis(trimethylsilyloxy)silyl]pentyl] 2-methylprop-2-enoate has a molecular weight of 466.80 g/mol, XLogP of 3.40, 15 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,3-dihydroxypropoxy)-5-[methyl-bis(trimethylsilyloxy)silyl]pentyl] 2-methylprop-2-enoate is sourced from PubChem (CID 57022023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).