[3-[3-[3-(hydroxy-methyl-trimethylsilyloxysilyl)-2-methylpropoxy]-3-methylbutoxy]-3-methylbutyl] 2-methylprop-2-enoate

C22H46O6Si2 — CID 91212399

IUPAC[3-[3-[3-(hydroxy-methyl-trimethylsilyloxysilyl)-2-methylpropoxy]-3-methylbutoxy]-3-methylbutyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCC(C)(C)OCCC(C)(C)OCC(C)C[Si](C)(O)O[Si](C)(C)C
InChIInChI=1S/C22H46O6Si2/c1-18(2)20(23)25-14-12-21(4,5)26-15-13-22(6,7)27-16-19(3)17-30(11,24)28-29(8,9)10/h19,24H,1,12-17H2,2-11H3
InChIKeyYMUHUQBOMXFCKQ-UHFFFAOYSA-N
MW462.78 g/mol
LogP5.03
Rot. Bonds15

About [3-[3-[3-(hydroxy-methyl-trimethylsilyloxysilyl)-2-methylpropoxy]-3-methylbutoxy]-3-methylbutyl] 2-methylprop-2-enoate

[3-[3-[3-(hydroxy-methyl-trimethylsilyloxysilyl)-2-methylpropoxy]-3-methylbutoxy]-3-methylbutyl] 2-methylprop-2-enoate (PubChem CID 91212399) has the molecular formula C22H46O6Si2 and a molecular weight of 462.78 g/mol. Its IUPAC name is [3-[3-[3-(hydroxy-methyl-trimethylsilyloxysilyl)-2-methylpropoxy]-3-methylbutoxy]-3-methylbutyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[3-[3-[3-(hydroxy-methyl-trimethylsilyloxysilyl)-2-methylpropoxy]-3-methylbutoxy]-3-methylbutyl] 2-methylprop-2-enoate
PubChem CID91212399
Molecular FormulaC22H46O6Si2
Molecular Weight462.78 g/mol
Exact Mass462.28
IUPAC Name[3-[3-[3-(hydroxy-methyl-trimethylsilyloxysilyl)-2-methylpropoxy]-3-methylbutoxy]-3-methylbutyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCC(C)(C)OCCC(C)(C)OCC(C)C[Si](C)(O)O[Si](C)(C)C
InChIInChI=1S/C22H46O6Si2/c1-18(2)20(23)25-14-12-21(4,5)26-15-13-22(6,7)27-16-19(3)17-30(11,24)28-29(8,9)10/h19,24H,1,12-17H2,2-11H3
InChIKeyYMUHUQBOMXFCKQ-UHFFFAOYSA-N
XLogP5.03
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.78
LogP ≤ 55.03
H-Bond Donors ≤ 51
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

[4-[2,4-dimethyl-5-[methyl-bis(trimethylsilyloxy)silyl]pentan-2-yl]oxy-2-methylbutan-2-yl] 2-methylprop-2-enoate
CID 91034972
3,3,3-tris[tris(trimethylsilyloxy)silyl]propyl 2-methylprop-2-enoate
CID 18508468
[3-hydroxy-3-methyl-5-(2-methylprop-2-enoyloxy)pentyl] 2-methylprop-2-enoate
CID 122518361
[2-hydroxy-3-[methyl-bis(trimethylsilyloxy)silyl]propyl] 2-methylprop-2-enoate
CID 118855687
3-[[bis[methyl-[3-(2-methylprop-2-enoyloxy)propyl]-trimethylsilyloxysilyl]-silylmethyl]-methyl-trimethylsilyloxysilyl]propyl 2-methylprop-2-enoate
CID 149435617
3,3-dimethylpentyl 2-methylprop-2-enoate
CID 20670454
3-(hydroxy-methoxy-methylsilyl)propyl 2-methylprop-2-enoate
CID 140965642
6-trimethylsilyloxyhexyl 2-methylprop-2-enoate
CID 86065689
3,3-dimethylhexyl 2-methylprop-2-enoate
CID 59157270
bis(trimethyl-[2-methyl-4-(2-methylprop-2-enoyloxy)butan-2-yl]azanium) dichloride
CID 174680654
3-[dimethoxy(methyl)silyl]propyl 2-methylprop-2-enoate;(2-methyl-3-trimethoxysilylpropyl) 2-methylprop-2-enoate
CID 87696910
[2-methyl-4-(2-methylprop-2-enoyloxy)butyl]phosphonic acid
CID 139818991

Frequently Asked Questions

What is the IUPAC name of [3-[3-[3-(hydroxy-methyl-trimethylsilyloxysilyl)-2-methylpropoxy]-3-methylbutoxy]-3-methylbutyl] 2-methylprop-2-enoate?
The IUPAC name of [3-[3-[3-(hydroxy-methyl-trimethylsilyloxysilyl)-2-methylpropoxy]-3-methylbutoxy]-3-methylbutyl] 2-methylprop-2-enoate (CID 91212399) is [3-[3-[3-(hydroxy-methyl-trimethylsilyloxysilyl)-2-methylpropoxy]-3-methylbutoxy]-3-methylbutyl] 2-methylprop-2-enoate.
What is the SMILES notation for [3-[3-[3-(hydroxy-methyl-trimethylsilyloxysilyl)-2-methylpropoxy]-3-methylbutoxy]-3-methylbutyl] 2-methylprop-2-enoate?
The canonical SMILES for [3-[3-[3-(hydroxy-methyl-trimethylsilyloxysilyl)-2-methylpropoxy]-3-methylbutoxy]-3-methylbutyl] 2-methylprop-2-enoate is C=C(C)C(=O)OCCC(C)(C)OCCC(C)(C)OCC(C)C[Si](C)(O)O[Si](C)(C)C.
What is the InChIKey of [3-[3-[3-(hydroxy-methyl-trimethylsilyloxysilyl)-2-methylpropoxy]-3-methylbutoxy]-3-methylbutyl] 2-methylprop-2-enoate?
The InChIKey is YMUHUQBOMXFCKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H46O6Si2/c1-18(2)20(23)25-14-12-21(4,5)26-15-13-22(6,7)27-16-19(3)17-30(11,24)28-29(8,9)10/h19,24H,1,12-17H2,2-11H3.
What are the key properties of [3-[3-[3-(hydroxy-methyl-trimethylsilyloxysilyl)-2-methylpropoxy]-3-methylbutoxy]-3-methylbutyl] 2-methylprop-2-enoate?
[3-[3-[3-(hydroxy-methyl-trimethylsilyloxysilyl)-2-methylpropoxy]-3-methylbutoxy]-3-methylbutyl] 2-methylprop-2-enoate has a molecular weight of 462.78 g/mol, XLogP of 5.03, 15 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-[3-(hydroxy-methyl-trimethylsilyloxysilyl)-2-methylpropoxy]-3-methylbutoxy]-3-methylbutyl] 2-methylprop-2-enoate is sourced from PubChem (CID 91212399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).