[2-[3-[[[2-[dimethyl(trimethylsilyloxy)silyl]ethyl-dimethylsilyl]oxy-[3-(2-methoxyphenyl)propyl-dimethylsilyl]oxy-methylsilyl]oxy-dimethylsilyl]propyl]phenyl] 3-oxobutanoate

C37H68O8Si6 — CID 90139695

IUPAC[2-[3-[[[2-[dimethyl(trimethylsilyloxy)silyl]ethyl-dimethylsilyl]oxy-[3-(2-methoxyphenyl)propyl-dimethylsilyl]oxy-methylsilyl]oxy-dimethylsilyl]propyl]phenyl] 3-oxobutanoate
SMILESCOc1ccccc1CCC[Si](C)(C)O[Si](C)(O[Si](C)(C)CCCc1ccccc1OC(=O)CC(C)=O)O[Si](C)(C)CC[Si](C)(C)O[Si](C)(C)C
InChIInChI=1S/C37H68O8Si6/c1-32(38)31-37(39)41-36-26-18-16-22-34(36)24-20-28-48(8,9)44-51(14,45-50(12,13)30-29-49(10,11)42-46(3,4)5)43-47(6,7)27-19-23-33-21-15-17-25-35(33)40-2/h15-18,21-22,25-26H,19-20,23-24,27-31H2,1-14H3
InChIKeyAVKGLFWUBJYUBW-UHFFFAOYSA-N
MW809.46 g/mol
LogP10.44
Rot. Bonds23

About [2-[3-[[[2-[dimethyl(trimethylsilyloxy)silyl]ethyl-dimethylsilyl]oxy-[3-(2-methoxyphenyl)propyl-dimethylsilyl]oxy-methylsilyl]oxy-dimethylsilyl]propyl]phenyl] 3-oxobutanoate

[2-[3-[[[2-[dimethyl(trimethylsilyloxy)silyl]ethyl-dimethylsilyl]oxy-[3-(2-methoxyphenyl)propyl-dimethylsilyl]oxy-methylsilyl]oxy-dimethylsilyl]propyl]phenyl] 3-oxobutanoate (PubChem CID 90139695) has the molecular formula C37H68O8Si6 and a molecular weight of 809.46 g/mol. Its IUPAC name is [2-[3-[[[2-[dimethyl(trimethylsilyloxy)silyl]ethyl-dimethylsilyl]oxy-[3-(2-methoxyphenyl)propyl-dimethylsilyl]oxy-methylsilyl]oxy-dimethylsilyl]propyl]phenyl] 3-oxobutanoate.

Molecular Properties

Compound Name[2-[3-[[[2-[dimethyl(trimethylsilyloxy)silyl]ethyl-dimethylsilyl]oxy-[3-(2-methoxyphenyl)propyl-dimethylsilyl]oxy-methylsilyl]oxy-dimethylsilyl]propyl]phenyl] 3-oxobutanoate
PubChem CID90139695
Molecular FormulaC37H68O8Si6
Molecular Weight809.46 g/mol
Exact Mass808.35
IUPAC Name[2-[3-[[[2-[dimethyl(trimethylsilyloxy)silyl]ethyl-dimethylsilyl]oxy-[3-(2-methoxyphenyl)propyl-dimethylsilyl]oxy-methylsilyl]oxy-dimethylsilyl]propyl]phenyl] 3-oxobutanoate
SMILESCOc1ccccc1CCC[Si](C)(C)O[Si](C)(O[Si](C)(C)CCCc1ccccc1OC(=O)CC(C)=O)O[Si](C)(C)CC[Si](C)(C)O[Si](C)(C)C
InChIInChI=1S/C37H68O8Si6/c1-32(38)31-37(39)41-36-26-18-16-22-34(36)24-20-28-48(8,9)44-51(14,45-50(12,13)30-29-49(10,11)42-46(3,4)5)43-47(6,7)27-19-23-33-21-15-17-25-35(33)40-2/h15-18,21-22,25-26H,19-20,23-24,27-31H2,1-14H3
InChIKeyAVKGLFWUBJYUBW-UHFFFAOYSA-N
XLogP10.44
TPSA89.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds23
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500809.46
LogP ≤ 510.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze [2-[3-[[[2-[dimethyl(trimethylsilyloxy)silyl]ethyl-dimethylsilyl]oxy-[3-(2-methoxyphenyl)propyl-dimethylsilyl]oxy-methylsilyl]oxy-dimethylsilyl]propyl]phenyl] 3-oxobutanoate with MolForge

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Related Compounds

(4-tert-butylphenyl) [2-[3-[[[2-[dimethyl(trimethylsilyloxy)silyl]ethyl-dimethylsilyl]oxy-[3-(2-methoxyphenyl)propyl-dimethylsilyl]oxy-methylsilyl]oxy-dimethylsilyl]propyl]phenyl] carbonate
CID 23379892
(2-butylphenyl) 3-oxobutanoate
CID 118629065
(2-methoxyphenyl)methyl-[3-(2-methoxyphenyl)propyl-dimethylsilyl]oxy-dimethylsilane
CID 162694863
trimethylsilyl 4-(2-methoxyphenyl)butanoate
CID 584242
[2-[3-[ethyl-[ethyl-[3-(2-methoxyphenyl)propyl]-methylsilyl]oxy-methylsilyl]propyl]phenyl] 3-acetylbenzoate
CID 123813906
[2-[3-[[[[[[[[[[[[[[[[[[[3-(2-methoxyphenyl)propyl-dimethylsilyl]-oxosilyl]-oxosilyl]-oxosilyl]-oxosilyl]-oxosilyl]-oxosilyl]-oxosilyl]-oxosilyl]-oxosilyl]-oxosilyl]-oxosilyl]-oxosilyl]-oxosilyl]-oxosilyl]-oxosilyl]-oxosilyl]-oxosilyl]silyloxy-dimethylsilyl]propyl]phenyl] acetate
CID 137330422
(2-butylphenyl) [2-[3-[dimethyl(trimethylsilyloxy)silyl]propyl]phenyl] carbonate;[4-[2-[4-[2-[3-[dimethyl(trimethylsilyloxy)silyl]propyl]phenoxy]carbonyloxyphenyl]propan-2-yl]phenyl] [2-[3-[dimethyl(trimethylsilyloxy)silyl]propyl]phenyl] carbonate;methane
CID 161105329
3,4-dimethoxy-N-[3-(2-methoxyphenyl)propyl]benzamide
CID 99995361
1-(2-methoxyphenyl)-4-methylpentan-3-one
CID 58133956
ethane;1-methoxy-2-[3-(2-methoxyphenyl)propyl]benzene
CID 91290457
2-bromo-N-[2-(2-methoxyphenyl)ethyl]butanamide
CID 106260338
3-oxobutanoyl 2-[(2-methoxyphenyl)methyl]-2,3-dimethylbutanoate
CID 174743213

Frequently Asked Questions

What is the IUPAC name of [2-[3-[[[2-[dimethyl(trimethylsilyloxy)silyl]ethyl-dimethylsilyl]oxy-[3-(2-methoxyphenyl)propyl-dimethylsilyl]oxy-methylsilyl]oxy-dimethylsilyl]propyl]phenyl] 3-oxobutanoate?
The IUPAC name of [2-[3-[[[2-[dimethyl(trimethylsilyloxy)silyl]ethyl-dimethylsilyl]oxy-[3-(2-methoxyphenyl)propyl-dimethylsilyl]oxy-methylsilyl]oxy-dimethylsilyl]propyl]phenyl] 3-oxobutanoate (CID 90139695) is [2-[3-[[[2-[dimethyl(trimethylsilyloxy)silyl]ethyl-dimethylsilyl]oxy-[3-(2-methoxyphenyl)propyl-dimethylsilyl]oxy-methylsilyl]oxy-dimethylsilyl]propyl]phenyl] 3-oxobutanoate.
What is the SMILES notation for [2-[3-[[[2-[dimethyl(trimethylsilyloxy)silyl]ethyl-dimethylsilyl]oxy-[3-(2-methoxyphenyl)propyl-dimethylsilyl]oxy-methylsilyl]oxy-dimethylsilyl]propyl]phenyl] 3-oxobutanoate?
The canonical SMILES for [2-[3-[[[2-[dimethyl(trimethylsilyloxy)silyl]ethyl-dimethylsilyl]oxy-[3-(2-methoxyphenyl)propyl-dimethylsilyl]oxy-methylsilyl]oxy-dimethylsilyl]propyl]phenyl] 3-oxobutanoate is COc1ccccc1CCC[Si](C)(C)O[Si](C)(O[Si](C)(C)CCCc1ccccc1OC(=O)CC(C)=O)O[Si](C)(C)CC[Si](C)(C)O[Si](C)(C)C.
What is the InChIKey of [2-[3-[[[2-[dimethyl(trimethylsilyloxy)silyl]ethyl-dimethylsilyl]oxy-[3-(2-methoxyphenyl)propyl-dimethylsilyl]oxy-methylsilyl]oxy-dimethylsilyl]propyl]phenyl] 3-oxobutanoate?
The InChIKey is AVKGLFWUBJYUBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H68O8Si6/c1-32(38)31-37(39)41-36-26-18-16-22-34(36)24-20-28-48(8,9)44-51(14,45-50(12,13)30-29-49(10,11)42-46(3,4)5)43-47(6,7)27-19-23-33-21-15-17-25-35(33)40-2/h15-18,21-22,25-26H,19-20,23-24,27-31H2,1-14H3.
What are the key properties of [2-[3-[[[2-[dimethyl(trimethylsilyloxy)silyl]ethyl-dimethylsilyl]oxy-[3-(2-methoxyphenyl)propyl-dimethylsilyl]oxy-methylsilyl]oxy-dimethylsilyl]propyl]phenyl] 3-oxobutanoate?
[2-[3-[[[2-[dimethyl(trimethylsilyloxy)silyl]ethyl-dimethylsilyl]oxy-[3-(2-methoxyphenyl)propyl-dimethylsilyl]oxy-methylsilyl]oxy-dimethylsilyl]propyl]phenyl] 3-oxobutanoate has a molecular weight of 809.46 g/mol, XLogP of 10.44, 23 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-[[[2-[dimethyl(trimethylsilyloxy)silyl]ethyl-dimethylsilyl]oxy-[3-(2-methoxyphenyl)propyl-dimethylsilyl]oxy-methylsilyl]oxy-dimethylsilyl]propyl]phenyl] 3-oxobutanoate is sourced from PubChem (CID 90139695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).