[2-[[[[dimethyl-[3-prop-2-enoyloxy-2,2-bis(prop-2-enoyloxymethyl)propoxy]silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxymethyl]-3-prop-2-enoyloxy-2-(prop-2-enoyloxymethyl)propyl] prop-2-enoate

C34H52O16Si3 — CID 59031923

IUPAC[2-[[[[dimethyl-[3-prop-2-enoyloxy-2,2-bis(prop-2-enoyloxymethyl)propoxy]silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxymethyl]-3-prop-2-enoyloxy-2-(prop-2-enoyloxymethyl)propyl] prop-2-enoate
SMILESC=CC(=O)OCC(COC(=O)C=C)(COC(=O)C=C)CO[Si](C)(C)O[Si](C)(C)O[Si](C)(C)OCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C
InChIInChI=1S/C34H52O16Si3/c1-13-27(35)41-19-33(20-42-28(36)14-2,21-43-29(37)15-3)25-47-51(7,8)49-53(11,12)50-52(9,10)48-26-34(22-44-30(38)16-4,23-45-31(39)17-5)24-46-32(40)18-6/h13-18H,1-6,19-26H2,7-12H3
InChIKeyGKUMGYRKDRZNQU-UHFFFAOYSA-N
MW801.03 g/mol
LogP3.51
Rot. Bonds28

About [2-[[[[dimethyl-[3-prop-2-enoyloxy-2,2-bis(prop-2-enoyloxymethyl)propoxy]silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxymethyl]-3-prop-2-enoyloxy-2-(prop-2-enoyloxymethyl)propyl] prop-2-enoate

[2-[[[[dimethyl-[3-prop-2-enoyloxy-2,2-bis(prop-2-enoyloxymethyl)propoxy]silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxymethyl]-3-prop-2-enoyloxy-2-(prop-2-enoyloxymethyl)propyl] prop-2-enoate (PubChem CID 59031923) has the molecular formula C34H52O16Si3 and a molecular weight of 801.03 g/mol. Its IUPAC name is [2-[[[[dimethyl-[3-prop-2-enoyloxy-2,2-bis(prop-2-enoyloxymethyl)propoxy]silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxymethyl]-3-prop-2-enoyloxy-2-(prop-2-enoyloxymethyl)propyl] prop-2-enoate.

Molecular Properties

Compound Name[2-[[[[dimethyl-[3-prop-2-enoyloxy-2,2-bis(prop-2-enoyloxymethyl)propoxy]silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxymethyl]-3-prop-2-enoyloxy-2-(prop-2-enoyloxymethyl)propyl] prop-2-enoate
PubChem CID59031923
Molecular FormulaC34H52O16Si3
Molecular Weight801.03 g/mol
Exact Mass800.26
IUPAC Name[2-[[[[dimethyl-[3-prop-2-enoyloxy-2,2-bis(prop-2-enoyloxymethyl)propoxy]silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxymethyl]-3-prop-2-enoyloxy-2-(prop-2-enoyloxymethyl)propyl] prop-2-enoate
SMILESC=CC(=O)OCC(COC(=O)C=C)(COC(=O)C=C)CO[Si](C)(C)O[Si](C)(C)O[Si](C)(C)OCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C
InChIInChI=1S/C34H52O16Si3/c1-13-27(35)41-19-33(20-42-28(36)14-2,21-43-29(37)15-3)25-47-51(7,8)49-53(11,12)50-52(9,10)48-26-34(22-44-30(38)16-4,23-45-31(39)17-5)24-46-32(40)18-6/h13-18H,1-6,19-26H2,7-12H3
InChIKeyGKUMGYRKDRZNQU-UHFFFAOYSA-N
XLogP3.51
TPSA194.72 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds28
Heavy Atoms53
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500801.03
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', '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-[[[[dimethyl-[3-prop-2-enoyloxy-2,2-bis(prop-2-enoyloxymethyl)propoxy]silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxymethyl]-3-prop-2-enoyloxy-2-(prop-2-enoyloxymethyl)propyl] prop-2-enoate?
The IUPAC name of [2-[[[[dimethyl-[3-prop-2-enoyloxy-2,2-bis(prop-2-enoyloxymethyl)propoxy]silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxymethyl]-3-prop-2-enoyloxy-2-(prop-2-enoyloxymethyl)propyl] prop-2-enoate (CID 59031923) is [2-[[[[dimethyl-[3-prop-2-enoyloxy-2,2-bis(prop-2-enoyloxymethyl)propoxy]silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxymethyl]-3-prop-2-enoyloxy-2-(prop-2-enoyloxymethyl)propyl] prop-2-enoate.
What is the SMILES notation for [2-[[[[dimethyl-[3-prop-2-enoyloxy-2,2-bis(prop-2-enoyloxymethyl)propoxy]silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxymethyl]-3-prop-2-enoyloxy-2-(prop-2-enoyloxymethyl)propyl] prop-2-enoate?
The canonical SMILES for [2-[[[[dimethyl-[3-prop-2-enoyloxy-2,2-bis(prop-2-enoyloxymethyl)propoxy]silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxymethyl]-3-prop-2-enoyloxy-2-(prop-2-enoyloxymethyl)propyl] prop-2-enoate is C=CC(=O)OCC(COC(=O)C=C)(COC(=O)C=C)CO[Si](C)(C)O[Si](C)(C)O[Si](C)(C)OCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C.
What is the InChIKey of [2-[[[[dimethyl-[3-prop-2-enoyloxy-2,2-bis(prop-2-enoyloxymethyl)propoxy]silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxymethyl]-3-prop-2-enoyloxy-2-(prop-2-enoyloxymethyl)propyl] prop-2-enoate?
The InChIKey is GKUMGYRKDRZNQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H52O16Si3/c1-13-27(35)41-19-33(20-42-28(36)14-2,21-43-29(37)15-3)25-47-51(7,8)49-53(11,12)50-52(9,10)48-26-34(22-44-30(38)16-4,23-45-31(39)17-5)24-46-32(40)18-6/h13-18H,1-6,19-26H2,7-12H3.
What are the key properties of [2-[[[[dimethyl-[3-prop-2-enoyloxy-2,2-bis(prop-2-enoyloxymethyl)propoxy]silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxymethyl]-3-prop-2-enoyloxy-2-(prop-2-enoyloxymethyl)propyl] prop-2-enoate?
[2-[[[[dimethyl-[3-prop-2-enoyloxy-2,2-bis(prop-2-enoyloxymethyl)propoxy]silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxymethyl]-3-prop-2-enoyloxy-2-(prop-2-enoyloxymethyl)propyl] prop-2-enoate has a molecular weight of 801.03 g/mol, XLogP of 3.51, 28 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[[[dimethyl-[3-prop-2-enoyloxy-2,2-bis(prop-2-enoyloxymethyl)propoxy]silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxymethyl]-3-prop-2-enoyloxy-2-(prop-2-enoyloxymethyl)propyl] prop-2-enoate is sourced from PubChem (CID 59031923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).