[[bis(triethylsilyloxy)-trimethylsilyloxysilyl]oxy-di(butan-2-yl)silyl] 2-methylprop-2-enoate

C27H62O6Si5 — CID 87430550

IUPAC[[bis(triethylsilyloxy)-trimethylsilyloxysilyl]oxy-di(butan-2-yl)silyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)O[Si](O[Si](O[Si](C)(C)C)(O[Si](CC)(CC)CC)O[Si](CC)(CC)CC)(C(C)CC)C(C)CC
InChIInChI=1S/C27H62O6Si5/c1-16-25(11)37(26(12)17-2,29-27(28)24(9)10)33-38(30-34(13,14)15,31-35(18-3,19-4)20-5)32-36(21-6,22-7)23-8/h25-26H,9,16-23H2,1-8,10-15H3
InChIKeyDYRRERPFGSKRFP-UHFFFAOYSA-N
MW623.22 g/mol
LogP9.50
Rot. Bonds20

About [[bis(triethylsilyloxy)-trimethylsilyloxysilyl]oxy-di(butan-2-yl)silyl] 2-methylprop-2-enoate

[[bis(triethylsilyloxy)-trimethylsilyloxysilyl]oxy-di(butan-2-yl)silyl] 2-methylprop-2-enoate (PubChem CID 87430550) has the molecular formula C27H62O6Si5 and a molecular weight of 623.22 g/mol. Its IUPAC name is [[bis(triethylsilyloxy)-trimethylsilyloxysilyl]oxy-di(butan-2-yl)silyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[[bis(triethylsilyloxy)-trimethylsilyloxysilyl]oxy-di(butan-2-yl)silyl] 2-methylprop-2-enoate
PubChem CID87430550
Molecular FormulaC27H62O6Si5
Molecular Weight623.22 g/mol
Exact Mass622.34
IUPAC Name[[bis(triethylsilyloxy)-trimethylsilyloxysilyl]oxy-di(butan-2-yl)silyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)O[Si](O[Si](O[Si](C)(C)C)(O[Si](CC)(CC)CC)O[Si](CC)(CC)CC)(C(C)CC)C(C)CC
InChIInChI=1S/C27H62O6Si5/c1-16-25(11)37(26(12)17-2,29-27(28)24(9)10)33-38(30-34(13,14)15,31-35(18-3,19-4)20-5)32-36(21-6,22-7)23-8/h25-26H,9,16-23H2,1-8,10-15H3
InChIKeyDYRRERPFGSKRFP-UHFFFAOYSA-N
XLogP9.50
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds20
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500623.22
LogP ≤ 59.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[[bis(triethylsilyloxy)-trimethylsilyloxysilyl]oxy-di(propan-2-yl)silyl] 2-methylprop-2-enoate
CID 87430614
tris(trimethylsilyloxy)silyl 2-methylprop-2-enoate
CID 23108290
[butan-2-yl-(2-methylbutan-2-yl)-propan-2-ylsilyl] 2-methylprop-2-enoate
CID 18377594
3-tris[tris(trimethylsilyloxy)silyloxy]silylpropyl 2-methylprop-2-enoate
CID 54059170
[di(butan-2-yl)-hexylsilyl] 2-methylprop-2-enoate
CID 155659361
ethane-1,2-diol;trimethylsilyl 2-methylprop-2-enoate
CID 87381259
(methoxy-methyl-trimethylsilyloxysilyl) 2-methylprop-2-enoate
CID 54437979
[[[di(propan-2-yl)-tri(propan-2-yl)silyloxysilyl]oxy-di(propan-2-yl)silyl]oxy-di(propan-2-yl)silyl] 2-methylprop-2-enoate
CID 22927338
[di(butan-2-yl)-tri(propan-2-yl)silyloxysilyl] prop-2-enoate
CID 87430711
[dimethyl(3-methylbutyl)silyl] 2-methylprop-2-enoate
CID 139703188
[2-methyl-1-(2-methylprop-2-enoyloxy)butyl] 2-methylprop-2-enoate
CID 139940333
ethanol;trimethoxysilyl 2-methylprop-2-enoate
CID 175501834

Frequently Asked Questions

What is the IUPAC name of [[bis(triethylsilyloxy)-trimethylsilyloxysilyl]oxy-di(butan-2-yl)silyl] 2-methylprop-2-enoate?
The IUPAC name of [[bis(triethylsilyloxy)-trimethylsilyloxysilyl]oxy-di(butan-2-yl)silyl] 2-methylprop-2-enoate (CID 87430550) is [[bis(triethylsilyloxy)-trimethylsilyloxysilyl]oxy-di(butan-2-yl)silyl] 2-methylprop-2-enoate.
What is the SMILES notation for [[bis(triethylsilyloxy)-trimethylsilyloxysilyl]oxy-di(butan-2-yl)silyl] 2-methylprop-2-enoate?
The canonical SMILES for [[bis(triethylsilyloxy)-trimethylsilyloxysilyl]oxy-di(butan-2-yl)silyl] 2-methylprop-2-enoate is C=C(C)C(=O)O[Si](O[Si](O[Si](C)(C)C)(O[Si](CC)(CC)CC)O[Si](CC)(CC)CC)(C(C)CC)C(C)CC.
What is the InChIKey of [[bis(triethylsilyloxy)-trimethylsilyloxysilyl]oxy-di(butan-2-yl)silyl] 2-methylprop-2-enoate?
The InChIKey is DYRRERPFGSKRFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H62O6Si5/c1-16-25(11)37(26(12)17-2,29-27(28)24(9)10)33-38(30-34(13,14)15,31-35(18-3,19-4)20-5)32-36(21-6,22-7)23-8/h25-26H,9,16-23H2,1-8,10-15H3.
What are the key properties of [[bis(triethylsilyloxy)-trimethylsilyloxysilyl]oxy-di(butan-2-yl)silyl] 2-methylprop-2-enoate?
[[bis(triethylsilyloxy)-trimethylsilyloxysilyl]oxy-di(butan-2-yl)silyl] 2-methylprop-2-enoate has a molecular weight of 623.22 g/mol, XLogP of 9.50, 20 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [[bis(triethylsilyloxy)-trimethylsilyloxysilyl]oxy-di(butan-2-yl)silyl] 2-methylprop-2-enoate is sourced from PubChem (CID 87430550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).