[dimethyl-[1-tris(trimethylsilyloxy)silyloxyethyl]silyl] 2-methyl-4-silylhex-2-eneperoxoate

C20H50O7Si6 — CID 174052205

IUPAC[dimethyl-[1-tris(trimethylsilyloxy)silyloxyethyl]silyl] 2-methyl-4-silylhex-2-eneperoxoate
SMILESCCC([SiH3])C=C(C)C(=O)OO[Si](C)(C)C(C)O[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C20H50O7Si6/c1-15-19(28)16-17(2)20(21)22-24-32(13,14)18(3)23-33(25-29(4,5)6,26-30(7,8)9)27-31(10,11)12/h16,18-19H,15H2,1-14,28H3
InChIKeyUZWAMDMDXNZBEN-UHFFFAOYSA-N
MW571.13 g/mol
LogP5.11
Rot. Bonds14

About [dimethyl-[1-tris(trimethylsilyloxy)silyloxyethyl]silyl] 2-methyl-4-silylhex-2-eneperoxoate

[dimethyl-[1-tris(trimethylsilyloxy)silyloxyethyl]silyl] 2-methyl-4-silylhex-2-eneperoxoate (PubChem CID 174052205) has the molecular formula C20H50O7Si6 and a molecular weight of 571.13 g/mol. Its IUPAC name is [dimethyl-[1-tris(trimethylsilyloxy)silyloxyethyl]silyl] 2-methyl-4-silylhex-2-eneperoxoate.

Molecular Properties

Compound Name[dimethyl-[1-tris(trimethylsilyloxy)silyloxyethyl]silyl] 2-methyl-4-silylhex-2-eneperoxoate
PubChem CID174052205
Molecular FormulaC20H50O7Si6
Molecular Weight571.13 g/mol
Exact Mass570.22
IUPAC Name[dimethyl-[1-tris(trimethylsilyloxy)silyloxyethyl]silyl] 2-methyl-4-silylhex-2-eneperoxoate
SMILESCCC([SiH3])C=C(C)C(=O)OO[Si](C)(C)C(C)O[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C20H50O7Si6/c1-15-19(28)16-17(2)20(21)22-24-32(13,14)18(3)23-33(25-29(4,5)6,26-30(7,8)9)27-31(10,11)12/h16,18-19H,15H2,1-14,28H3
InChIKeyUZWAMDMDXNZBEN-UHFFFAOYSA-N
XLogP5.11
TPSA72.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500571.13
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

trimethylsilyl 2-methyl-3-silylprop-2-eneperoxoate
CID 175051669
ethyl (E)-2-methyl-3-tris(trimethylsilyloxy)silyloxyprop-2-enoate
CID 88625505
ethyl 2-methyl-3-tris(trimethylsilyloxy)silyloxyprop-2-enoate
CID 57220243
[silyl(trimethylsilyloxy)methyl] 2-methylbut-2-enoate
CID 123793522
S-(2-trimethylsilyloxypropyl) ethanethioate
CID 71623584
2-methylprop-2-enoyl 2,4-dimethylhex-2-enoate
CID 174410729
trimethylsilyl 3-dimethylsilyl-2-methylprop-2-eneperoxoate
CID 173394840
ethyl (E)-2,4-dimethylhex-2-enoate
CID 12550546
bis(trimethylsilyloxy)methyl 2-methyl-4-silylbut-2-enoate
CID 123764813
trimethyl(1-silylpropoxy)silane
CID 123322107
ethyl (E,4S)-2,4-dimethyl-5-oxopent-2-enoate
CID 53392007
1-silylpropyl 3-methoxy-2-methylprop-2-enoate
CID 175355703

Frequently Asked Questions

What is the IUPAC name of [dimethyl-[1-tris(trimethylsilyloxy)silyloxyethyl]silyl] 2-methyl-4-silylhex-2-eneperoxoate?
The IUPAC name of [dimethyl-[1-tris(trimethylsilyloxy)silyloxyethyl]silyl] 2-methyl-4-silylhex-2-eneperoxoate (CID 174052205) is [dimethyl-[1-tris(trimethylsilyloxy)silyloxyethyl]silyl] 2-methyl-4-silylhex-2-eneperoxoate.
What is the SMILES notation for [dimethyl-[1-tris(trimethylsilyloxy)silyloxyethyl]silyl] 2-methyl-4-silylhex-2-eneperoxoate?
The canonical SMILES for [dimethyl-[1-tris(trimethylsilyloxy)silyloxyethyl]silyl] 2-methyl-4-silylhex-2-eneperoxoate is CCC([SiH3])C=C(C)C(=O)OO[Si](C)(C)C(C)O[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C.
What is the InChIKey of [dimethyl-[1-tris(trimethylsilyloxy)silyloxyethyl]silyl] 2-methyl-4-silylhex-2-eneperoxoate?
The InChIKey is UZWAMDMDXNZBEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H50O7Si6/c1-15-19(28)16-17(2)20(21)22-24-32(13,14)18(3)23-33(25-29(4,5)6,26-30(7,8)9)27-31(10,11)12/h16,18-19H,15H2,1-14,28H3.
What are the key properties of [dimethyl-[1-tris(trimethylsilyloxy)silyloxyethyl]silyl] 2-methyl-4-silylhex-2-eneperoxoate?
[dimethyl-[1-tris(trimethylsilyloxy)silyloxyethyl]silyl] 2-methyl-4-silylhex-2-eneperoxoate has a molecular weight of 571.13 g/mol, XLogP of 5.11, 14 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [dimethyl-[1-tris(trimethylsilyloxy)silyloxyethyl]silyl] 2-methyl-4-silylhex-2-eneperoxoate is sourced from PubChem (CID 174052205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).