[2-[3-(2-hydroxyethoxy)propoxy]-3-[methyl-bis(trimethylsilyloxy)silyl]propyl] 2-methylprop-2-enoate

C19H42O7Si3 — CID 87152295

IUPAC[2-[3-(2-hydroxyethoxy)propoxy]-3-[methyl-bis(trimethylsilyloxy)silyl]propyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(C[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C)OCCCOCCO
InChIInChI=1S/C19H42O7Si3/c1-17(2)19(21)24-15-18(23-13-10-12-22-14-11-20)16-29(9,25-27(3,4)5)26-28(6,7)8/h18,20H,1,10-16H2,2-9H3
InChIKeyFVZNYVMHHIPYSV-UHFFFAOYSA-N
MW466.80 g/mol
LogP3.66
Rot. Bonds16

About [2-[3-(2-hydroxyethoxy)propoxy]-3-[methyl-bis(trimethylsilyloxy)silyl]propyl] 2-methylprop-2-enoate

[2-[3-(2-hydroxyethoxy)propoxy]-3-[methyl-bis(trimethylsilyloxy)silyl]propyl] 2-methylprop-2-enoate (PubChem CID 87152295) has the molecular formula C19H42O7Si3 and a molecular weight of 466.80 g/mol. Its IUPAC name is [2-[3-(2-hydroxyethoxy)propoxy]-3-[methyl-bis(trimethylsilyloxy)silyl]propyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[2-[3-(2-hydroxyethoxy)propoxy]-3-[methyl-bis(trimethylsilyloxy)silyl]propyl] 2-methylprop-2-enoate
PubChem CID87152295
Molecular FormulaC19H42O7Si3
Molecular Weight466.80 g/mol
Exact Mass466.22
IUPAC Name[2-[3-(2-hydroxyethoxy)propoxy]-3-[methyl-bis(trimethylsilyloxy)silyl]propyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(C[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C)OCCCOCCO
InChIInChI=1S/C19H42O7Si3/c1-17(2)19(21)24-15-18(23-13-10-12-22-14-11-20)16-29(9,25-27(3,4)5)26-28(6,7)8/h18,20H,1,10-16H2,2-9H3
InChIKeyFVZNYVMHHIPYSV-UHFFFAOYSA-N
XLogP3.66
TPSA83.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds16
Heavy Atoms29
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.80
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of [2-[3-(2-hydroxyethoxy)propoxy]-3-[methyl-bis(trimethylsilyloxy)silyl]propyl] 2-methylprop-2-enoate?
The IUPAC name of [2-[3-(2-hydroxyethoxy)propoxy]-3-[methyl-bis(trimethylsilyloxy)silyl]propyl] 2-methylprop-2-enoate (CID 87152295) is [2-[3-(2-hydroxyethoxy)propoxy]-3-[methyl-bis(trimethylsilyloxy)silyl]propyl] 2-methylprop-2-enoate.
What is the SMILES notation for [2-[3-(2-hydroxyethoxy)propoxy]-3-[methyl-bis(trimethylsilyloxy)silyl]propyl] 2-methylprop-2-enoate?
The canonical SMILES for [2-[3-(2-hydroxyethoxy)propoxy]-3-[methyl-bis(trimethylsilyloxy)silyl]propyl] 2-methylprop-2-enoate is C=C(C)C(=O)OCC(C[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C)OCCCOCCO.
What is the InChIKey of [2-[3-(2-hydroxyethoxy)propoxy]-3-[methyl-bis(trimethylsilyloxy)silyl]propyl] 2-methylprop-2-enoate?
The InChIKey is FVZNYVMHHIPYSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H42O7Si3/c1-17(2)19(21)24-15-18(23-13-10-12-22-14-11-20)16-29(9,25-27(3,4)5)26-28(6,7)8/h18,20H,1,10-16H2,2-9H3.
What are the key properties of [2-[3-(2-hydroxyethoxy)propoxy]-3-[methyl-bis(trimethylsilyloxy)silyl]propyl] 2-methylprop-2-enoate?
[2-[3-(2-hydroxyethoxy)propoxy]-3-[methyl-bis(trimethylsilyloxy)silyl]propyl] 2-methylprop-2-enoate has a molecular weight of 466.80 g/mol, XLogP of 3.66, 16 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-(2-hydroxyethoxy)propoxy]-3-[methyl-bis(trimethylsilyloxy)silyl]propyl] 2-methylprop-2-enoate is sourced from PubChem (CID 87152295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).