(5-methyl-5-silyloxyhexan-3-yl) 2-methylprop-2-enoate;[1-silyl-1,1-bis(trimethylsilyloxy)butan-2-yl] 2-methylprop-2-enoate;1-tris(trimethylsilyloxy)silylpropyl 2-methylprop-2-enoate

C41H92O12Si8 — CID 173156428

IUPAC(5-methyl-5-silyloxyhexan-3-yl) 2-methylprop-2-enoate;[1-silyl-1,1-bis(trimethylsilyloxy)butan-2-yl] 2-methylprop-2-enoate;1-tris(trimethylsilyloxy)silylpropyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(CC)C([SiH3])(O[Si](C)(C)C)O[Si](C)(C)C.C=C(C)C(=O)OC(CC)CC(C)(C)O[SiH3].C=C(C)C(=O)OC(CC)[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C16H38O5Si4.C14H32O4Si3.C11H22O3Si/c1-13-15(18-16(17)14(2)3)25(19-22(4,5)6,20-23(7,8)9)21-24(10,11)12;1-10-12(16-13(15)11(2)3)14(19,17-20(4,5)6)18-21(7,8)9;1-6-9(7-11(4,5)14-15)13-10(12)8(2)3/h15H,2,13H2,1,3-12H3;12H,2,10H2,1,3-9,19H3;9H,2,6-7H2,1,3-5,15H3
InChIKeyZOIZWJAUSLFIPG-UHFFFAOYSA-N
MW1001.86 g/mol
LogP8.87
Rot. Bonds24

About (5-methyl-5-silyloxyhexan-3-yl) 2-methylprop-2-enoate;[1-silyl-1,1-bis(trimethylsilyloxy)butan-2-yl] 2-methylprop-2-enoate;1-tris(trimethylsilyloxy)silylpropyl 2-methylprop-2-enoate

(5-methyl-5-silyloxyhexan-3-yl) 2-methylprop-2-enoate;[1-silyl-1,1-bis(trimethylsilyloxy)butan-2-yl] 2-methylprop-2-enoate;1-tris(trimethylsilyloxy)silylpropyl 2-methylprop-2-enoate (PubChem CID 173156428) has the molecular formula C41H92O12Si8 and a molecular weight of 1001.86 g/mol. Its IUPAC name is (5-methyl-5-silyloxyhexan-3-yl) 2-methylprop-2-enoate;[1-silyl-1,1-bis(trimethylsilyloxy)butan-2-yl] 2-methylprop-2-enoate;1-tris(trimethylsilyloxy)silylpropyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name(5-methyl-5-silyloxyhexan-3-yl) 2-methylprop-2-enoate;[1-silyl-1,1-bis(trimethylsilyloxy)butan-2-yl] 2-methylprop-2-enoate;1-tris(trimethylsilyloxy)silylpropyl 2-methylprop-2-enoate
PubChem CID173156428
Molecular FormulaC41H92O12Si8
Molecular Weight1001.86 g/mol
Exact Mass1000.47
IUPAC Name(5-methyl-5-silyloxyhexan-3-yl) 2-methylprop-2-enoate;[1-silyl-1,1-bis(trimethylsilyloxy)butan-2-yl] 2-methylprop-2-enoate;1-tris(trimethylsilyloxy)silylpropyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(CC)C([SiH3])(O[Si](C)(C)C)O[Si](C)(C)C.C=C(C)C(=O)OC(CC)CC(C)(C)O[SiH3].C=C(C)C(=O)OC(CC)[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C16H38O5Si4.C14H32O4Si3.C11H22O3Si/c1-13-15(18-16(17)14(2)3)25(19-22(4,5)6,20-23(7,8)9)21-24(10,11)12;1-10-12(16-13(15)11(2)3)14(19,17-20(4,5)6)18-21(7,8)9;1-6-9(7-11(4,5)14-15)13-10(12)8(2)3/h15H,2,13H2,1,3-12H3;12H,2,10H2,1,3-9,19H3;9H,2,6-7H2,1,3-5,15H3
InChIKeyZOIZWJAUSLFIPG-UHFFFAOYSA-N
XLogP8.87
TPSA134.28 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds24
Heavy Atoms61
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001001.86
LogP ≤ 58.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (5-methyl-5-silyloxyhexan-3-yl) 2-methylprop-2-enoate;[1-silyl-1,1-bis(trimethylsilyloxy)butan-2-yl] 2-methylprop-2-enoate;1-tris(trimethylsilyloxy)silylpropyl 2-methylprop-2-enoate with MolForge

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Related Compounds

(1,1-dichloro-1-silylbutan-2-yl) 2-methylprop-2-enoate
CID 173234354
2,3,5-tris(aziridin-1-yl)cyclohexa-2,5-diene-1,4-dione;1-tris(trimethylsilyloxy)silylpropyl 2-methylprop-2-enoate
CID 87356592
2-amino-2-(hydroxymethyl)propane-1,3-diol;pyrrolidin-2-one;1-tris(trimethylsilyloxy)silylpropyl 2-methylprop-2-enoate
CID 67766613
11,11-dimethyldodecan-3-yl 2-methylprop-2-enoate
CID 164546841
azane;(4-chloro-4-ethylhexan-3-yl) 2-methylprop-2-enoate
CID 87147317
[2-hydroxy-3-[1-tris(trimethylsilyloxy)silylpropoxy]propyl] 2-methylprop-2-enoate
CID 22134039
1-[methyl-bis(methylsilyloxy)silyl]propyl 2-methylprop-2-enoate
CID 173234649
1-[diethoxy(methyl)silyl]propyl 2-methylprop-2-enoate;1-dimethoxysilylbutan-2-yl 2-methylprop-2-enoate;silane
CID 175321333
1-[dimethylsilyloxy(dimethyl)silyl]propyl 2-methylprop-2-enoate
CID 123837103
[4-hydroxy-5,5-dimethyl-4-(2-methylprop-2-enoyloxy)hexan-3-yl] 2-methylprop-2-enoate
CID 156636376
1-tris(trimethylsilyloxy)silylpropyl N-ethyl-N-(2-methylprop-2-enoxy)carbamate
CID 87342818
[2-acetyloxy-1,1,1-trifluoro-2-(trifluoromethyl)pentan-3-yl] 2-methylprop-2-enoate
CID 118548748

Frequently Asked Questions

What is the IUPAC name of (5-methyl-5-silyloxyhexan-3-yl) 2-methylprop-2-enoate;[1-silyl-1,1-bis(trimethylsilyloxy)butan-2-yl] 2-methylprop-2-enoate;1-tris(trimethylsilyloxy)silylpropyl 2-methylprop-2-enoate?
The IUPAC name of (5-methyl-5-silyloxyhexan-3-yl) 2-methylprop-2-enoate;[1-silyl-1,1-bis(trimethylsilyloxy)butan-2-yl] 2-methylprop-2-enoate;1-tris(trimethylsilyloxy)silylpropyl 2-methylprop-2-enoate (CID 173156428) is (5-methyl-5-silyloxyhexan-3-yl) 2-methylprop-2-enoate;[1-silyl-1,1-bis(trimethylsilyloxy)butan-2-yl] 2-methylprop-2-enoate;1-tris(trimethylsilyloxy)silylpropyl 2-methylprop-2-enoate.
What is the SMILES notation for (5-methyl-5-silyloxyhexan-3-yl) 2-methylprop-2-enoate;[1-silyl-1,1-bis(trimethylsilyloxy)butan-2-yl] 2-methylprop-2-enoate;1-tris(trimethylsilyloxy)silylpropyl 2-methylprop-2-enoate?
The canonical SMILES for (5-methyl-5-silyloxyhexan-3-yl) 2-methylprop-2-enoate;[1-silyl-1,1-bis(trimethylsilyloxy)butan-2-yl] 2-methylprop-2-enoate;1-tris(trimethylsilyloxy)silylpropyl 2-methylprop-2-enoate is C=C(C)C(=O)OC(CC)C([SiH3])(O[Si](C)(C)C)O[Si](C)(C)C.C=C(C)C(=O)OC(CC)CC(C)(C)O[SiH3].C=C(C)C(=O)OC(CC)[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C.
What is the InChIKey of (5-methyl-5-silyloxyhexan-3-yl) 2-methylprop-2-enoate;[1-silyl-1,1-bis(trimethylsilyloxy)butan-2-yl] 2-methylprop-2-enoate;1-tris(trimethylsilyloxy)silylpropyl 2-methylprop-2-enoate?
The InChIKey is ZOIZWJAUSLFIPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H38O5Si4.C14H32O4Si3.C11H22O3Si/c1-13-15(18-16(17)14(2)3)25(19-22(4,5)6,20-23(7,8)9)21-24(10,11)12;1-10-12(16-13(15)11(2)3)14(19,17-20(4,5)6)18-21(7,8)9;1-6-9(7-11(4,5)14-15)13-10(12)8(2)3/h15H,2,13H2,1,3-12H3;12H,2,10H2,1,3-9,19H3;9H,2,6-7H2,1,3-5,15H3.
What are the key properties of (5-methyl-5-silyloxyhexan-3-yl) 2-methylprop-2-enoate;[1-silyl-1,1-bis(trimethylsilyloxy)butan-2-yl] 2-methylprop-2-enoate;1-tris(trimethylsilyloxy)silylpropyl 2-methylprop-2-enoate?
(5-methyl-5-silyloxyhexan-3-yl) 2-methylprop-2-enoate;[1-silyl-1,1-bis(trimethylsilyloxy)butan-2-yl] 2-methylprop-2-enoate;1-tris(trimethylsilyloxy)silylpropyl 2-methylprop-2-enoate has a molecular weight of 1001.86 g/mol, XLogP of 8.87, 24 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-5-silyloxyhexan-3-yl) 2-methylprop-2-enoate;[1-silyl-1,1-bis(trimethylsilyloxy)butan-2-yl] 2-methylprop-2-enoate;1-tris(trimethylsilyloxy)silylpropyl 2-methylprop-2-enoate is sourced from PubChem (CID 173156428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).