[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

C25H40O21Si20 — CID 137330422

IUPAC[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
SMILESCOc1ccccc1CCC[Si](C)(C)[Si](=O)[Si](=O)[Si](=O)[Si](=O)[Si](=O)[Si](=O)[Si](=O)[Si](=O)[Si](=O)[Si](=O)[Si](=O)[Si](=O)[Si](=O)[Si](=O)[Si](=O)[Si](=O)[Si](=O)[SiH2]O[Si](C)(C)CCCc1ccccc1OC(C)=O
InChIInChI=1S/C25H40O21Si20/c1-21(26)45-25-18-10-8-14-23(25)15-11-19-65(3,4)46-47-48(27)49(28)50(29)51(30)52(31)53(32)54(33)55(34)56(35)57(36)58(37)59(38)60(39)61(40)62(41)63(42)64(43)66(5,6)20-12-16-22-13-7-9-17-24(22)44-2/h7-10,13-14,17-18H,11-12,15-16,19-20,47H2,1-6H3
InChIKeyUTQRNDGLCGYJCB-UHFFFAOYSA-N
MW1238.29 g/mol
LogP-2.80
Rot. Bonds30

About [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

[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 (PubChem CID 137330422) has the molecular formula C25H40O21Si20 and a molecular weight of 1238.29 g/mol. Its IUPAC name is [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.

Molecular Properties

Compound Name[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
PubChem CID137330422
Molecular FormulaC25H40O21Si20
Molecular Weight1238.29 g/mol
Exact Mass1235.74
IUPAC Name[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
SMILESCOc1ccccc1CCC[Si](C)(C)[Si](=O)[Si](=O)[Si](=O)[Si](=O)[Si](=O)[Si](=O)[Si](=O)[Si](=O)[Si](=O)[Si](=O)[Si](=O)[Si](=O)[Si](=O)[Si](=O)[Si](=O)[Si](=O)[Si](=O)[SiH2]O[Si](C)(C)CCCc1ccccc1OC(C)=O
InChIInChI=1S/C25H40O21Si20/c1-21(26)45-25-18-10-8-14-23(25)15-11-19-65(3,4)46-47-48(27)49(28)50(29)51(30)52(31)53(32)54(33)55(34)56(35)57(36)58(37)59(38)60(39)61(40)62(41)63(42)64(43)66(5,6)20-12-16-22-13-7-9-17-24(22)44-2/h7-10,13-14,17-18H,11-12,15-16,19-20,47H2,1-6H3
InChIKeyUTQRNDGLCGYJCB-UHFFFAOYSA-N
XLogP-2.80
TPSA334.95 Ų
H-Bond Donors
H-Bond Acceptors21
Rotatable Bonds30
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001238.29
LogP ≤ 5-2.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

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

Analyze [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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

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Related Compounds

[2-[3-[[[2-[dimethyl(trimethylsilyloxy)silyl]ethyl-dimethylsilyl]oxy-[3-(2-methoxyphenyl)propyl-dimethylsilyl]oxy-methylsilyl]oxy-dimethylsilyl]propyl]phenyl] 3-oxobutanoate
CID 90139695
(2-methoxyphenyl)methyl-[3-(2-methoxyphenyl)propyl-dimethylsilyl]oxy-dimethylsilane
CID 162694863
[2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]phenyl] acetate
CID 159421207
[2-[5-[5-(2-acetyloxyphenyl)pentylsulfanyl]pentyl]phenyl] acetate
CID 54261792
[2-[(2-methoxyphenyl)methylcarbamoyl]phenyl] acetate
CID 3362065
trimethylsilyl 4-(2-methoxyphenyl)butanoate
CID 584242
ethane;1-methoxy-2-[3-(2-methoxyphenyl)propyl]benzene
CID 91290457
[2-[3-[ethyl-[ethyl-[3-(2-methoxyphenyl)propyl]-methylsilyl]oxy-methylsilyl]propyl]phenyl] 3-acetylbenzoate
CID 123813906
5-(2-methoxyphenyl)pentanoic acid
CID 25050817
(2-butylphenyl) 3-oxobutanoate
CID 118629065
[2-(2-butylphenyl)phenyl] acetate
CID 68813742
[2-[3-[4-[3-(2-acetyloxyphenyl)propyl]-2,4,6-trimethyl-6-[3-(2-prop-1-en-2-yloxyphenyl)propyl]-1,3,5,2,4,6-trioxatrisilinan-2-yl]propyl]phenyl] acetate
CID 59509864

Frequently Asked Questions

What is the IUPAC name of [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?
The IUPAC name of [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) is [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.
What is the SMILES notation for [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?
The canonical SMILES for [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 is COc1ccccc1CCC[Si](C)(C)[Si](=O)[Si](=O)[Si](=O)[Si](=O)[Si](=O)[Si](=O)[Si](=O)[Si](=O)[Si](=O)[Si](=O)[Si](=O)[Si](=O)[Si](=O)[Si](=O)[Si](=O)[Si](=O)[Si](=O)[SiH2]O[Si](C)(C)CCCc1ccccc1OC(C)=O.
What is the InChIKey of [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?
The InChIKey is UTQRNDGLCGYJCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H40O21Si20/c1-21(26)45-25-18-10-8-14-23(25)15-11-19-65(3,4)46-47-48(27)49(28)50(29)51(30)52(31)53(32)54(33)55(34)56(35)57(36)58(37)59(38)60(39)61(40)62(41)63(42)64(43)66(5,6)20-12-16-22-13-7-9-17-24(22)44-2/h7-10,13-14,17-18H,11-12,15-16,19-20,47H2,1-6H3.
What are the key properties of [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?
[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 has a molecular weight of 1238.29 g/mol, XLogP of -2.80, 30 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for [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 is sourced from PubChem (CID 137330422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).