bis[3-[dimethyl-[methyl-bis(trimethylsilyloxy)silyl]oxysilyl]propyl] but-2-enedioate

C28H68O10Si8 — CID 173321361

IUPACbis[3-[dimethyl-[methyl-bis(trimethylsilyloxy)silyl]oxysilyl]propyl] but-2-enedioate
SMILESC[Si](C)(C)O[Si](C)(O[Si](C)(C)C)O[Si](C)(C)CCCOC(=O)C=CC(=O)OCCC[Si](C)(C)O[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C28H68O10Si8/c1-39(2,3)33-45(17,34-40(4,5)6)37-43(13,14)25-19-23-31-27(29)21-22-28(30)32-24-20-26-44(15,16)38-46(18,35-41(7,8)9)36-42(10,11)12/h21-22H,19-20,23-26H2,1-18H3
InChIKeyLEODULLQBYNGQS-UHFFFAOYSA-N
MW789.53 g/mol
LogP8.40
Rot. Bonds22

About bis[3-[dimethyl-[methyl-bis(trimethylsilyloxy)silyl]oxysilyl]propyl] but-2-enedioate

bis[3-[dimethyl-[methyl-bis(trimethylsilyloxy)silyl]oxysilyl]propyl] but-2-enedioate (PubChem CID 173321361) has the molecular formula C28H68O10Si8 and a molecular weight of 789.53 g/mol. Its IUPAC name is bis[3-[dimethyl-[methyl-bis(trimethylsilyloxy)silyl]oxysilyl]propyl] but-2-enedioate.

Molecular Properties

Compound Namebis[3-[dimethyl-[methyl-bis(trimethylsilyloxy)silyl]oxysilyl]propyl] but-2-enedioate
PubChem CID173321361
Molecular FormulaC28H68O10Si8
Molecular Weight789.53 g/mol
Exact Mass788.30
IUPAC Namebis[3-[dimethyl-[methyl-bis(trimethylsilyloxy)silyl]oxysilyl]propyl] but-2-enedioate
SMILESC[Si](C)(C)O[Si](C)(O[Si](C)(C)C)O[Si](C)(C)CCCOC(=O)C=CC(=O)OCCC[Si](C)(C)O[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C28H68O10Si8/c1-39(2,3)33-45(17,34-40(4,5)6)37-43(13,14)25-19-23-31-27(29)21-22-28(30)32-24-20-26-44(15,16)38-46(18,35-41(7,8)9)36-42(10,11)12/h21-22H,19-20,23-26H2,1-18H3
InChIKeyLEODULLQBYNGQS-UHFFFAOYSA-N
XLogP8.40
TPSA107.98 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds22
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500789.53
LogP ≤ 58.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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'}

Analyze bis[3-[dimethyl-[methyl-bis(trimethylsilyloxy)silyl]oxysilyl]propyl] but-2-enedioate with MolForge

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Related Compounds

1-O-methyl 4-O-[3-tris(trimethylsilyloxy)silylpropyl] but-2-enedioate
CID 54485160
1-O-[3-[dimethyl(trimethylsilyloxy)silyl]propyl] 4-O-(1,1,1,2,3,3-hexafluoropropan-2-yl) but-2-enedioate
CID 173346718
3-[[3-acetyloxypropyl(dimethyl)silyl]oxy-bis(trimethylsilyloxy)silyl]propyl but-2-enoate
CID 173363801
4-oxo-4-(3-trimethylsilylpropoxy)but-2-enoic acid
CID 91126449
4-[[3-but-2-enoyloxypropyl-bis(trimethylsilyloxy)silyl]oxy-dimethylsilyl]butanoic acid
CID 173409415
3-[dimethyl(trimethoxysilyloxy)silyl]propyl prop-2-enoate
CID 22726207
bis(3-triethoxysilylpropyl) (Z)-but-2-enedioate
CID 140673134
3-[[bis[[dimethyl(3-prop-2-enoyloxypropyl)silyl]oxy]-propylsilyl]oxy-dimethylsilyl]propyl prop-2-enoate
CID 166010478
3-[[[methoxy(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl prop-2-enoate
CID 150144614
6-[[[dimethyl(6-prop-2-enoyloxyhexyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]hexyl prop-2-enoate
CID 89309257
(E)-4-[2-cyclohexyl-2-[3-[dimethyl(trimethylsilyloxy)silyl]propoxy]ethoxy]-4-oxobut-2-enoic acid
CID 151580287
bis(3-methoxypropyl) (Z)-but-2-enedioate
CID 87255789

Frequently Asked Questions

What is the IUPAC name of bis[3-[dimethyl-[methyl-bis(trimethylsilyloxy)silyl]oxysilyl]propyl] but-2-enedioate?
The IUPAC name of bis[3-[dimethyl-[methyl-bis(trimethylsilyloxy)silyl]oxysilyl]propyl] but-2-enedioate (CID 173321361) is bis[3-[dimethyl-[methyl-bis(trimethylsilyloxy)silyl]oxysilyl]propyl] but-2-enedioate.
What is the SMILES notation for bis[3-[dimethyl-[methyl-bis(trimethylsilyloxy)silyl]oxysilyl]propyl] but-2-enedioate?
The canonical SMILES for bis[3-[dimethyl-[methyl-bis(trimethylsilyloxy)silyl]oxysilyl]propyl] but-2-enedioate is C[Si](C)(C)O[Si](C)(O[Si](C)(C)C)O[Si](C)(C)CCCOC(=O)C=CC(=O)OCCC[Si](C)(C)O[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C.
What is the InChIKey of bis[3-[dimethyl-[methyl-bis(trimethylsilyloxy)silyl]oxysilyl]propyl] but-2-enedioate?
The InChIKey is LEODULLQBYNGQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H68O10Si8/c1-39(2,3)33-45(17,34-40(4,5)6)37-43(13,14)25-19-23-31-27(29)21-22-28(30)32-24-20-26-44(15,16)38-46(18,35-41(7,8)9)36-42(10,11)12/h21-22H,19-20,23-26H2,1-18H3.
What are the key properties of bis[3-[dimethyl-[methyl-bis(trimethylsilyloxy)silyl]oxysilyl]propyl] but-2-enedioate?
bis[3-[dimethyl-[methyl-bis(trimethylsilyloxy)silyl]oxysilyl]propyl] but-2-enedioate has a molecular weight of 789.53 g/mol, XLogP of 8.40, 22 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for bis[3-[dimethyl-[methyl-bis(trimethylsilyloxy)silyl]oxysilyl]propyl] but-2-enedioate is sourced from PubChem (CID 173321361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).