[2-hydroxy-3-[3-[3-[2-hydroxy-3-(2-methylprop-2-enoyloxy)propoxy]propylsilyloxysilyl]propoxy]propyl] 2-methylprop-2-enoate

C20H38O9Si2 — CID 154406838

IUPAC[2-hydroxy-3-[3-[3-[2-hydroxy-3-(2-methylprop-2-enoyloxy)propoxy]propylsilyloxysilyl]propoxy]propyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(O)COCCC[SiH2]O[SiH2]CCCOCC(O)COC(=O)C(=C)C
InChIInChI=1S/C20H38O9Si2/c1-15(2)19(23)27-13-17(21)11-25-7-5-9-30-29-31-10-6-8-26-12-18(22)14-28-20(24)16(3)4/h17-18,21-22H,1,3,5-14,30-31H2,2,4H3
InChIKeyGYKODPRMFYUSLP-UHFFFAOYSA-N
MW478.69 g/mol
LogP-0.22
Rot. Bonds20

About [2-hydroxy-3-[3-[3-[2-hydroxy-3-(2-methylprop-2-enoyloxy)propoxy]propylsilyloxysilyl]propoxy]propyl] 2-methylprop-2-enoate

[2-hydroxy-3-[3-[3-[2-hydroxy-3-(2-methylprop-2-enoyloxy)propoxy]propylsilyloxysilyl]propoxy]propyl] 2-methylprop-2-enoate (PubChem CID 154406838) has the molecular formula C20H38O9Si2 and a molecular weight of 478.69 g/mol. Its IUPAC name is [2-hydroxy-3-[3-[3-[2-hydroxy-3-(2-methylprop-2-enoyloxy)propoxy]propylsilyloxysilyl]propoxy]propyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[2-hydroxy-3-[3-[3-[2-hydroxy-3-(2-methylprop-2-enoyloxy)propoxy]propylsilyloxysilyl]propoxy]propyl] 2-methylprop-2-enoate
PubChem CID154406838
Molecular FormulaC20H38O9Si2
Molecular Weight478.69 g/mol
Exact Mass478.21
IUPAC Name[2-hydroxy-3-[3-[3-[2-hydroxy-3-(2-methylprop-2-enoyloxy)propoxy]propylsilyloxysilyl]propoxy]propyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(O)COCCC[SiH2]O[SiH2]CCCOCC(O)COC(=O)C(=C)C
InChIInChI=1S/C20H38O9Si2/c1-15(2)19(23)27-13-17(21)11-25-7-5-9-30-29-31-10-6-8-26-12-18(22)14-28-20(24)16(3)4/h17-18,21-22H,1,3,5-14,30-31H2,2,4H3
InChIKeyGYKODPRMFYUSLP-UHFFFAOYSA-N
XLogP-0.22
TPSA120.75 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds20
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.69
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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'}

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Related Compounds

[2-hydroxy-3-[2-[2-[2-[2-hydroxy-3-(2-methylprop-2-enoyloxy)propoxy]ethoxy]ethoxy]ethoxy]propyl] 2-methylprop-2-enoate
CID 12800792
[2-hydroxy-3-[4-[2-hydroxy-3-(2-methylprop-2-enoyloxy)propoxy]butoxy]propyl] 2,2-dimethylpropanoate
CID 123927218
[2-hydroxy-3-[3-(1-hydroxy-3-methyl-2-oxobut-3-enoxy)propoxy]propyl] 2-methylprop-2-enoate
CID 122548998
(2-hydroxy-3-methoxypropyl) 2-methylprop-2-enoate
CID 15315335
hexane-1,6-diol;[2-hydroxy-3-[2-hydroxy-3-(2-methylprop-2-enoyloxy)propoxy]propyl] 2-methylprop-2-enoate
CID 87523431
[3-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]-2-hydroxypropyl] 2-methylprop-2-enoate
CID 23527263
[3-[3-(2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)propoxy]-2-hydroxypropyl] 2-methylprop-2-enoate
CID 59558928
[2-hydroxy-3-[3-[methyl-(2-methylprop-2-enoyloxy)-trimethylsilyloxysilyl]propoxy]propyl] 2-methylprop-2-enoate
CID 140749715
[3,3-dibromo-2-[[2-hydroxy-3-(2-methylprop-2-enoyloxy)propoxy]methyl]propyl] 2-methylprop-2-enoate
CID 88638317
(2-hydroxy-3-methoxycarbonyloxypropyl) 2-methylprop-2-enoate
CID 139917348
[3-hydroxy-4-(2-methylprop-2-enoyloxy)butyl] 2-methylprop-2-enoate
CID 19428981
[2-hydroxy-3-[3-[[2-[[[2-[[3-[2-hydroxy-3-(2-methylprop-2-enoyloxy)propoxy]propyl-dimethylsilyl]oxy-dimethylsilyl]ethoxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxyethyl-dimethylsilyl]oxy-dimethylsilyl]propoxy]propyl] 2-methylprop-2-enoate
CID 140857272

Frequently Asked Questions

What is the IUPAC name of [2-hydroxy-3-[3-[3-[2-hydroxy-3-(2-methylprop-2-enoyloxy)propoxy]propylsilyloxysilyl]propoxy]propyl] 2-methylprop-2-enoate?
The IUPAC name of [2-hydroxy-3-[3-[3-[2-hydroxy-3-(2-methylprop-2-enoyloxy)propoxy]propylsilyloxysilyl]propoxy]propyl] 2-methylprop-2-enoate (CID 154406838) is [2-hydroxy-3-[3-[3-[2-hydroxy-3-(2-methylprop-2-enoyloxy)propoxy]propylsilyloxysilyl]propoxy]propyl] 2-methylprop-2-enoate.
What is the SMILES notation for [2-hydroxy-3-[3-[3-[2-hydroxy-3-(2-methylprop-2-enoyloxy)propoxy]propylsilyloxysilyl]propoxy]propyl] 2-methylprop-2-enoate?
The canonical SMILES for [2-hydroxy-3-[3-[3-[2-hydroxy-3-(2-methylprop-2-enoyloxy)propoxy]propylsilyloxysilyl]propoxy]propyl] 2-methylprop-2-enoate is C=C(C)C(=O)OCC(O)COCCC[SiH2]O[SiH2]CCCOCC(O)COC(=O)C(=C)C.
What is the InChIKey of [2-hydroxy-3-[3-[3-[2-hydroxy-3-(2-methylprop-2-enoyloxy)propoxy]propylsilyloxysilyl]propoxy]propyl] 2-methylprop-2-enoate?
The InChIKey is GYKODPRMFYUSLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38O9Si2/c1-15(2)19(23)27-13-17(21)11-25-7-5-9-30-29-31-10-6-8-26-12-18(22)14-28-20(24)16(3)4/h17-18,21-22H,1,3,5-14,30-31H2,2,4H3.
What are the key properties of [2-hydroxy-3-[3-[3-[2-hydroxy-3-(2-methylprop-2-enoyloxy)propoxy]propylsilyloxysilyl]propoxy]propyl] 2-methylprop-2-enoate?
[2-hydroxy-3-[3-[3-[2-hydroxy-3-(2-methylprop-2-enoyloxy)propoxy]propylsilyloxysilyl]propoxy]propyl] 2-methylprop-2-enoate has a molecular weight of 478.69 g/mol, XLogP of -0.22, 20 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [2-hydroxy-3-[3-[3-[2-hydroxy-3-(2-methylprop-2-enoyloxy)propoxy]propylsilyloxysilyl]propoxy]propyl] 2-methylprop-2-enoate is sourced from PubChem (CID 154406838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).