2-[3-[[[3-[2-[6-(2,5-dioxopyrrol-1-yl)hexanoyloxy]ethoxy]propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]ethyl 6-(2,5-dioxopyrrol-1-yl)hexanoate

C36H62N2O12Si3 — CID 18683169

IUPAC2-[3-[[[3-[2-[6-(2,5-dioxopyrrol-1-yl)hexanoyloxy]ethoxy]propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]ethyl 6-(2,5-dioxopyrrol-1-yl)hexanoate
SMILESC[Si](C)(CCCOCCOC(=O)CCCCCN1C(=O)C=CC1=O)O[Si](C)(C)O[Si](C)(C)CCCOCCOC(=O)CCCCCN1C(=O)C=CC1=O
InChIInChI=1S/C36H62N2O12Si3/c1-51(2,29-13-23-45-25-27-47-35(43)15-9-7-11-21-37-31(39)17-18-32(37)40)49-53(5,6)50-52(3,4)30-14-24-46-26-28-48-36(44)16-10-8-12-22-38-33(41)19-20-34(38)42/h17-20H,7-16,21-30H2,1-6H3
InChIKeyQSMJWLFHBZFXDA-UHFFFAOYSA-N
MW799.15 g/mol
LogP5.00
Rot. Bonds30

About 2-[3-[[[3-[2-[6-(2,5-dioxopyrrol-1-yl)hexanoyloxy]ethoxy]propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]ethyl 6-(2,5-dioxopyrrol-1-yl)hexanoate

2-[3-[[[3-[2-[6-(2,5-dioxopyrrol-1-yl)hexanoyloxy]ethoxy]propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]ethyl 6-(2,5-dioxopyrrol-1-yl)hexanoate (PubChem CID 18683169) has the molecular formula C36H62N2O12Si3 and a molecular weight of 799.15 g/mol. Its IUPAC name is 2-[3-[[[3-[2-[6-(2,5-dioxopyrrol-1-yl)hexanoyloxy]ethoxy]propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]ethyl 6-(2,5-dioxopyrrol-1-yl)hexanoate.

Molecular Properties

Compound Name2-[3-[[[3-[2-[6-(2,5-dioxopyrrol-1-yl)hexanoyloxy]ethoxy]propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]ethyl 6-(2,5-dioxopyrrol-1-yl)hexanoate
PubChem CID18683169
Molecular FormulaC36H62N2O12Si3
Molecular Weight799.15 g/mol
Exact Mass798.36
IUPAC Name2-[3-[[[3-[2-[6-(2,5-dioxopyrrol-1-yl)hexanoyloxy]ethoxy]propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]ethyl 6-(2,5-dioxopyrrol-1-yl)hexanoate
SMILESC[Si](C)(CCCOCCOC(=O)CCCCCN1C(=O)C=CC1=O)O[Si](C)(C)O[Si](C)(C)CCCOCCOC(=O)CCCCCN1C(=O)C=CC1=O
InChIInChI=1S/C36H62N2O12Si3/c1-51(2,29-13-23-45-25-27-47-35(43)15-9-7-11-21-37-31(39)17-18-32(37)40)49-53(5,6)50-52(3,4)30-14-24-46-26-28-48-36(44)16-10-8-12-22-38-33(41)19-20-34(38)42/h17-20H,7-16,21-30H2,1-6H3
InChIKeyQSMJWLFHBZFXDA-UHFFFAOYSA-N
XLogP5.00
TPSA164.28 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds30
Heavy Atoms53
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500799.15
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[[[3-[2-[6-(2,5-dioxopyrrol-1-yl)hexanoyloxy]ethoxy]propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]ethyl 6-(2,5-dioxopyrrol-1-yl)hexanoate?
The IUPAC name of 2-[3-[[[3-[2-[6-(2,5-dioxopyrrol-1-yl)hexanoyloxy]ethoxy]propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]ethyl 6-(2,5-dioxopyrrol-1-yl)hexanoate (CID 18683169) is 2-[3-[[[3-[2-[6-(2,5-dioxopyrrol-1-yl)hexanoyloxy]ethoxy]propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]ethyl 6-(2,5-dioxopyrrol-1-yl)hexanoate.
What is the SMILES notation for 2-[3-[[[3-[2-[6-(2,5-dioxopyrrol-1-yl)hexanoyloxy]ethoxy]propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]ethyl 6-(2,5-dioxopyrrol-1-yl)hexanoate?
The canonical SMILES for 2-[3-[[[3-[2-[6-(2,5-dioxopyrrol-1-yl)hexanoyloxy]ethoxy]propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]ethyl 6-(2,5-dioxopyrrol-1-yl)hexanoate is C[Si](C)(CCCOCCOC(=O)CCCCCN1C(=O)C=CC1=O)O[Si](C)(C)O[Si](C)(C)CCCOCCOC(=O)CCCCCN1C(=O)C=CC1=O.
What is the InChIKey of 2-[3-[[[3-[2-[6-(2,5-dioxopyrrol-1-yl)hexanoyloxy]ethoxy]propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]ethyl 6-(2,5-dioxopyrrol-1-yl)hexanoate?
The InChIKey is QSMJWLFHBZFXDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H62N2O12Si3/c1-51(2,29-13-23-45-25-27-47-35(43)15-9-7-11-21-37-31(39)17-18-32(37)40)49-53(5,6)50-52(3,4)30-14-24-46-26-28-48-36(44)16-10-8-12-22-38-33(41)19-20-34(38)42/h17-20H,7-16,21-30H2,1-6H3.
What are the key properties of 2-[3-[[[3-[2-[6-(2,5-dioxopyrrol-1-yl)hexanoyloxy]ethoxy]propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]ethyl 6-(2,5-dioxopyrrol-1-yl)hexanoate?
2-[3-[[[3-[2-[6-(2,5-dioxopyrrol-1-yl)hexanoyloxy]ethoxy]propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]ethyl 6-(2,5-dioxopyrrol-1-yl)hexanoate has a molecular weight of 799.15 g/mol, XLogP of 5.00, 30 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[[3-[2-[6-(2,5-dioxopyrrol-1-yl)hexanoyloxy]ethoxy]propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]ethyl 6-(2,5-dioxopyrrol-1-yl)hexanoate is sourced from PubChem (CID 18683169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).