3-[[3-[2-[4-(2-hydroxy-2-methylpropanoyl)phenoxy]acetyl]oxypropyl-dimethylsilyl]oxy-dimethylsilyl]propyl 2-[4-(2-hydroxy-2-methylpropanoyl)phenoxy]acetate;methane

C36H58O11Si2 — CID 159883399

IUPAC3-[[3-[2-[4-(2-hydroxy-2-methylpropanoyl)phenoxy]acetyl]oxypropyl-dimethylsilyl]oxy-dimethylsilyl]propyl 2-[4-(2-hydroxy-2-methylpropanoyl)phenoxy]acetate;methane
SMILESC.C.CC(C)(O)C(=O)c1ccc(OCC(=O)OCCC[Si](C)(C)O[Si](C)(C)CCCOC(=O)COc2ccc(C(=O)C(C)(C)O)cc2)cc1
InChIInChI=1S/C34H50O11Si2.2CH4/c1-33(2,39)31(37)25-11-15-27(16-12-25)43-23-29(35)41-19-9-21-46(5,6)45-47(7,8)22-10-20-42-30(36)24-44-28-17-13-26(14-18-28)32(38)34(3,4)40;;/h11-18,39-40H,9-10,19-24H2,1-8H3;2*1H4
InChIKeyNTUZVMCFJZRWAB-UHFFFAOYSA-N
MW723.02 g/mol
LogP6.62
Rot. Bonds20

About 3-[[3-[2-[4-(2-hydroxy-2-methylpropanoyl)phenoxy]acetyl]oxypropyl-dimethylsilyl]oxy-dimethylsilyl]propyl 2-[4-(2-hydroxy-2-methylpropanoyl)phenoxy]acetate;methane

3-[[3-[2-[4-(2-hydroxy-2-methylpropanoyl)phenoxy]acetyl]oxypropyl-dimethylsilyl]oxy-dimethylsilyl]propyl 2-[4-(2-hydroxy-2-methylpropanoyl)phenoxy]acetate;methane (PubChem CID 159883399) has the molecular formula C36H58O11Si2 and a molecular weight of 723.02 g/mol. Its IUPAC name is 3-[[3-[2-[4-(2-hydroxy-2-methylpropanoyl)phenoxy]acetyl]oxypropyl-dimethylsilyl]oxy-dimethylsilyl]propyl 2-[4-(2-hydroxy-2-methylpropanoyl)phenoxy]acetate;methane.

Molecular Properties

Compound Name3-[[3-[2-[4-(2-hydroxy-2-methylpropanoyl)phenoxy]acetyl]oxypropyl-dimethylsilyl]oxy-dimethylsilyl]propyl 2-[4-(2-hydroxy-2-methylpropanoyl)phenoxy]acetate;methane
PubChem CID159883399
Molecular FormulaC36H58O11Si2
Molecular Weight723.02 g/mol
Exact Mass722.35
IUPAC Name3-[[3-[2-[4-(2-hydroxy-2-methylpropanoyl)phenoxy]acetyl]oxypropyl-dimethylsilyl]oxy-dimethylsilyl]propyl 2-[4-(2-hydroxy-2-methylpropanoyl)phenoxy]acetate;methane
SMILESC.C.CC(C)(O)C(=O)c1ccc(OCC(=O)OCCC[Si](C)(C)O[Si](C)(C)CCCOC(=O)COc2ccc(C(=O)C(C)(C)O)cc2)cc1
InChIInChI=1S/C34H50O11Si2.2CH4/c1-33(2,39)31(37)25-11-15-27(16-12-25)43-23-29(35)41-19-9-21-46(5,6)45-47(7,8)22-10-20-42-30(36)24-44-28-17-13-26(14-18-28)32(38)34(3,4)40;;/h11-18,39-40H,9-10,19-24H2,1-8H3;2*1H4
InChIKeyNTUZVMCFJZRWAB-UHFFFAOYSA-N
XLogP6.62
TPSA154.89 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds20
Heavy Atoms49
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500723.02
LogP ≤ 56.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze 3-[[3-[2-[4-(2-hydroxy-2-methylpropanoyl)phenoxy]acetyl]oxypropyl-dimethylsilyl]oxy-dimethylsilyl]propyl 2-[4-(2-hydroxy-2-methylpropanoyl)phenoxy]acetate;methane with MolForge

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Related Compounds

1-[4-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]propoxy]phenyl]-2-hydroxy-2-methylpropan-1-one
CID 18728701
1-[4-[3-[[3-[4-[2-[dimethyl(trimethylsilyloxy)silyl]oxy-2-methylpropanoyl]phenoxy]propyl-dimethylsilyl]oxy-dimethylsilyl]propoxy]phenyl]-2-hydroxy-2-methylpropan-1-one;1-[4-[[[4-(2-hydroxy-2-methylpropanoyl)phenoxy]-dimethylsilyl]oxy-dimethylsilyl]oxyphenyl]-2,2-dimethylpropan-1-one;1-[4-[3-[[[4-(2-hydroxy-2-methylpropanoyl)phenoxy]-dimethylsilyl]oxy-dimethylsilyl]propoxy]phenyl]-2,2-dimethylpropan-1-one
CID 157288356
2-hydroxy-1-[4-(2-methoxyethoxy)phenyl]-2-methylpropan-1-one
CID 20659085
1-[4-[3-[dimethyl(trimethylsilyloxy)silyl]propoxy]phenyl]-2-methyl-2-morpholin-4-ylpropan-1-one;methane
CID 157392457
2-[4-(2-hydroxy-2-methylpropanoyl)phenoxy]ethyl butanoate
CID 59265217
2-hydroxy-1-[4-(hydroxymethoxy)phenyl]-2-methylpropan-1-one;methane
CID 162256777
2-hydroxy-1-[4-[2-[2-[4-(2-hydroxy-2-methylpropanoyl)phenoxy]ethyldisulfanyl]ethoxy]phenyl]-2-methylpropan-1-one
CID 162507967
tris[2-[4-(2-hydroxy-2-methylpropanoyl)phenoxy]ethyl] benzene-1,3,5-tricarboxylate
CID 135308581
1-(4-ethoxyphenyl)-2-hydroxy-2-methylpropan-1-one
CID 18728715
1-[4-(2-ethoxyethoxy)phenyl]-2-hydroxy-2-methylpropan-1-one
CID 67978987
(4-fluorophenyl) 4-[3-[[3-[4-(4-fluorophenoxy)carbonylphenoxy]propyl-dimethylsilyl]oxy-dimethylsilyl]propoxy]benzoate
CID 70364236
2-hydroxy-1-[4-(2-hydroxyethoxy)phenyl]-2-methylpropan-1-one;2-hydroxy-2-methyl-1-phenylpropan-1-one
CID 90092001

Frequently Asked Questions

What is the IUPAC name of 3-[[3-[2-[4-(2-hydroxy-2-methylpropanoyl)phenoxy]acetyl]oxypropyl-dimethylsilyl]oxy-dimethylsilyl]propyl 2-[4-(2-hydroxy-2-methylpropanoyl)phenoxy]acetate;methane?
The IUPAC name of 3-[[3-[2-[4-(2-hydroxy-2-methylpropanoyl)phenoxy]acetyl]oxypropyl-dimethylsilyl]oxy-dimethylsilyl]propyl 2-[4-(2-hydroxy-2-methylpropanoyl)phenoxy]acetate;methane (CID 159883399) is 3-[[3-[2-[4-(2-hydroxy-2-methylpropanoyl)phenoxy]acetyl]oxypropyl-dimethylsilyl]oxy-dimethylsilyl]propyl 2-[4-(2-hydroxy-2-methylpropanoyl)phenoxy]acetate;methane.
What is the SMILES notation for 3-[[3-[2-[4-(2-hydroxy-2-methylpropanoyl)phenoxy]acetyl]oxypropyl-dimethylsilyl]oxy-dimethylsilyl]propyl 2-[4-(2-hydroxy-2-methylpropanoyl)phenoxy]acetate;methane?
The canonical SMILES for 3-[[3-[2-[4-(2-hydroxy-2-methylpropanoyl)phenoxy]acetyl]oxypropyl-dimethylsilyl]oxy-dimethylsilyl]propyl 2-[4-(2-hydroxy-2-methylpropanoyl)phenoxy]acetate;methane is C.C.CC(C)(O)C(=O)c1ccc(OCC(=O)OCCC[Si](C)(C)O[Si](C)(C)CCCOC(=O)COc2ccc(C(=O)C(C)(C)O)cc2)cc1.
What is the InChIKey of 3-[[3-[2-[4-(2-hydroxy-2-methylpropanoyl)phenoxy]acetyl]oxypropyl-dimethylsilyl]oxy-dimethylsilyl]propyl 2-[4-(2-hydroxy-2-methylpropanoyl)phenoxy]acetate;methane?
The InChIKey is NTUZVMCFJZRWAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H50O11Si2.2CH4/c1-33(2,39)31(37)25-11-15-27(16-12-25)43-23-29(35)41-19-9-21-46(5,6)45-47(7,8)22-10-20-42-30(36)24-44-28-17-13-26(14-18-28)32(38)34(3,4)40;;/h11-18,39-40H,9-10,19-24H2,1-8H3;2*1H4.
What are the key properties of 3-[[3-[2-[4-(2-hydroxy-2-methylpropanoyl)phenoxy]acetyl]oxypropyl-dimethylsilyl]oxy-dimethylsilyl]propyl 2-[4-(2-hydroxy-2-methylpropanoyl)phenoxy]acetate;methane?
3-[[3-[2-[4-(2-hydroxy-2-methylpropanoyl)phenoxy]acetyl]oxypropyl-dimethylsilyl]oxy-dimethylsilyl]propyl 2-[4-(2-hydroxy-2-methylpropanoyl)phenoxy]acetate;methane has a molecular weight of 723.02 g/mol, XLogP of 6.62, 20 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-[2-[4-(2-hydroxy-2-methylpropanoyl)phenoxy]acetyl]oxypropyl-dimethylsilyl]oxy-dimethylsilyl]propyl 2-[4-(2-hydroxy-2-methylpropanoyl)phenoxy]acetate;methane is sourced from PubChem (CID 159883399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).