2-[2-[2-[2-[3-[2-[2-[2-(2-hexanoyloxyethoxy)ethoxy]ethoxy]ethoxy]-2-[6-(2-hydroxy-5-oxopyrrolidin-1-yl)oxycarbonyloxyhexylcarbamoyloxy]propoxy]ethoxy]ethoxy]ethoxy]ethyl hexanoate

C43H78N2O19 — CID 143261776

IUPAC2-[2-[2-[2-[3-[2-[2-[2-(2-hexanoyloxyethoxy)ethoxy]ethoxy]ethoxy]-2-[6-(2-hydroxy-5-oxopyrrolidin-1-yl)oxycarbonyloxyhexylcarbamoyloxy]propoxy]ethoxy]ethoxy]ethoxy]ethyl hexanoate
SMILESCCCCCC(=O)OCCOCCOCCOCCOCC(COCCOCCOCCOCCOC(=O)CCCCC)OC(=O)NCCCCCCOC(=O)ON1C(=O)CCC1O
InChIInChI=1S/C43H78N2O19/c1-3-5-9-13-40(48)60-33-31-56-25-23-52-19-21-54-27-29-58-35-37(36-59-30-28-55-22-20-53-24-26-57-32-34-61-41(49)14-10-6-4-2)63-42(50)44-17-11-7-8-12-18-62-43(51)64-45-38(46)15-16-39(45)47/h37-38,46H,3-36H2,1-2H3,(H,44,50)
InChIKeyFQVDGZLFHDCISO-UHFFFAOYSA-N
MW927.09 g/mol
LogP4.03
Rot. Bonds45

About 2-[2-[2-[2-[3-[2-[2-[2-(2-hexanoyloxyethoxy)ethoxy]ethoxy]ethoxy]-2-[6-(2-hydroxy-5-oxopyrrolidin-1-yl)oxycarbonyloxyhexylcarbamoyloxy]propoxy]ethoxy]ethoxy]ethoxy]ethyl hexanoate

2-[2-[2-[2-[3-[2-[2-[2-(2-hexanoyloxyethoxy)ethoxy]ethoxy]ethoxy]-2-[6-(2-hydroxy-5-oxopyrrolidin-1-yl)oxycarbonyloxyhexylcarbamoyloxy]propoxy]ethoxy]ethoxy]ethoxy]ethyl hexanoate (PubChem CID 143261776) has the molecular formula C43H78N2O19 and a molecular weight of 927.09 g/mol. Its IUPAC name is 2-[2-[2-[2-[3-[2-[2-[2-(2-hexanoyloxyethoxy)ethoxy]ethoxy]ethoxy]-2-[6-(2-hydroxy-5-oxopyrrolidin-1-yl)oxycarbonyloxyhexylcarbamoyloxy]propoxy]ethoxy]ethoxy]ethoxy]ethyl hexanoate.

Molecular Properties

Compound Name2-[2-[2-[2-[3-[2-[2-[2-(2-hexanoyloxyethoxy)ethoxy]ethoxy]ethoxy]-2-[6-(2-hydroxy-5-oxopyrrolidin-1-yl)oxycarbonyloxyhexylcarbamoyloxy]propoxy]ethoxy]ethoxy]ethoxy]ethyl hexanoate
PubChem CID143261776
Molecular FormulaC43H78N2O19
Molecular Weight927.09 g/mol
Exact Mass926.52
IUPAC Name2-[2-[2-[2-[3-[2-[2-[2-(2-hexanoyloxyethoxy)ethoxy]ethoxy]ethoxy]-2-[6-(2-hydroxy-5-oxopyrrolidin-1-yl)oxycarbonyloxyhexylcarbamoyloxy]propoxy]ethoxy]ethoxy]ethoxy]ethyl hexanoate
SMILESCCCCCC(=O)OCCOCCOCCOCCOCC(COCCOCCOCCOCCOC(=O)CCCCC)OC(=O)NCCCCCCOC(=O)ON1C(=O)CCC1O
InChIInChI=1S/C43H78N2O19/c1-3-5-9-13-40(48)60-33-31-56-25-23-52-19-21-54-27-29-58-35-37(36-59-30-28-55-22-20-53-24-26-57-32-34-61-41(49)14-10-6-4-2)63-42(50)44-17-11-7-8-12-18-62-43(51)64-45-38(46)15-16-39(45)47/h37-38,46H,3-36H2,1-2H3,(H,44,50)
InChIKeyFQVDGZLFHDCISO-UHFFFAOYSA-N
XLogP4.03
TPSA240.84 Ų
H-Bond Donors2
H-Bond Acceptors19
Rotatable Bonds45
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500927.09
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[2-[2-[2-[3-[2-[2-[2-(2-hexanoyloxyethoxy)ethoxy]ethoxy]ethoxy]-2-[6-(2-hydroxy-5-oxopyrrolidin-1-yl)oxycarbonyloxyhexylcarbamoyloxy]propoxy]ethoxy]ethoxy]ethoxy]ethyl hexanoate with MolForge

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Related Compounds

(2-hydroxy-5-oxopyrrolidin-1-yl) 8-[[2-[2-[2-[2-[[8-(2,5-dioxopyrrolidin-1-yl)oxy-8-oxooctyl]amino]-2-oxoethoxy]ethoxy]ethoxy]acetyl]amino]octanoate
CID 129183103
2-[2-(2,6-dioxopiperidin-1-yl)oxycarbonyloxyethoxy]ethyl dodecanoate
CID 143261786
undecyl 6-(2-methylpropoxycarbonylamino)hexanoate
CID 91740915
undecyl 4-(2-methylpropoxycarbonylamino)butanoate
CID 91718537
pentyl 6-(methoxycarbonylamino)hexanoate
CID 91699204
decyl 6-(methoxycarbonylamino)hexanoate
CID 91726021
6-O-(2-butoxyethyl) 1-O-hexyl hexanedioate
CID 91692824
2-(2-hexoxyethoxy)ethyl decanoate
CID 139604752
2-(2-hexoxyethoxy)ethyl octadecanoate
CID 139604732
2-dodecoxyethyl octadecanoate
CID 23042460
2-pentoxyethyl hexadecanoate
CID 139604749
2-(2-pentoxyethoxy)ethyl tetradecanoate
CID 139604741

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-[3-[2-[2-[2-(2-hexanoyloxyethoxy)ethoxy]ethoxy]ethoxy]-2-[6-(2-hydroxy-5-oxopyrrolidin-1-yl)oxycarbonyloxyhexylcarbamoyloxy]propoxy]ethoxy]ethoxy]ethoxy]ethyl hexanoate?
The IUPAC name of 2-[2-[2-[2-[3-[2-[2-[2-(2-hexanoyloxyethoxy)ethoxy]ethoxy]ethoxy]-2-[6-(2-hydroxy-5-oxopyrrolidin-1-yl)oxycarbonyloxyhexylcarbamoyloxy]propoxy]ethoxy]ethoxy]ethoxy]ethyl hexanoate (CID 143261776) is 2-[2-[2-[2-[3-[2-[2-[2-(2-hexanoyloxyethoxy)ethoxy]ethoxy]ethoxy]-2-[6-(2-hydroxy-5-oxopyrrolidin-1-yl)oxycarbonyloxyhexylcarbamoyloxy]propoxy]ethoxy]ethoxy]ethoxy]ethyl hexanoate.
What is the SMILES notation for 2-[2-[2-[2-[3-[2-[2-[2-(2-hexanoyloxyethoxy)ethoxy]ethoxy]ethoxy]-2-[6-(2-hydroxy-5-oxopyrrolidin-1-yl)oxycarbonyloxyhexylcarbamoyloxy]propoxy]ethoxy]ethoxy]ethoxy]ethyl hexanoate?
The canonical SMILES for 2-[2-[2-[2-[3-[2-[2-[2-(2-hexanoyloxyethoxy)ethoxy]ethoxy]ethoxy]-2-[6-(2-hydroxy-5-oxopyrrolidin-1-yl)oxycarbonyloxyhexylcarbamoyloxy]propoxy]ethoxy]ethoxy]ethoxy]ethyl hexanoate is CCCCCC(=O)OCCOCCOCCOCCOCC(COCCOCCOCCOCCOC(=O)CCCCC)OC(=O)NCCCCCCOC(=O)ON1C(=O)CCC1O.
What is the InChIKey of 2-[2-[2-[2-[3-[2-[2-[2-(2-hexanoyloxyethoxy)ethoxy]ethoxy]ethoxy]-2-[6-(2-hydroxy-5-oxopyrrolidin-1-yl)oxycarbonyloxyhexylcarbamoyloxy]propoxy]ethoxy]ethoxy]ethoxy]ethyl hexanoate?
The InChIKey is FQVDGZLFHDCISO-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H78N2O19/c1-3-5-9-13-40(48)60-33-31-56-25-23-52-19-21-54-27-29-58-35-37(36-59-30-28-55-22-20-53-24-26-57-32-34-61-41(49)14-10-6-4-2)63-42(50)44-17-11-7-8-12-18-62-43(51)64-45-38(46)15-16-39(45)47/h37-38,46H,3-36H2,1-2H3,(H,44,50).
What are the key properties of 2-[2-[2-[2-[3-[2-[2-[2-(2-hexanoyloxyethoxy)ethoxy]ethoxy]ethoxy]-2-[6-(2-hydroxy-5-oxopyrrolidin-1-yl)oxycarbonyloxyhexylcarbamoyloxy]propoxy]ethoxy]ethoxy]ethoxy]ethyl hexanoate?
2-[2-[2-[2-[3-[2-[2-[2-(2-hexanoyloxyethoxy)ethoxy]ethoxy]ethoxy]-2-[6-(2-hydroxy-5-oxopyrrolidin-1-yl)oxycarbonyloxyhexylcarbamoyloxy]propoxy]ethoxy]ethoxy]ethoxy]ethyl hexanoate has a molecular weight of 927.09 g/mol, XLogP of 4.03, 45 rotatable bonds, 2 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-[3-[2-[2-[2-(2-hexanoyloxyethoxy)ethoxy]ethoxy]ethoxy]-2-[6-(2-hydroxy-5-oxopyrrolidin-1-yl)oxycarbonyloxyhexylcarbamoyloxy]propoxy]ethoxy]ethoxy]ethoxy]ethyl hexanoate is sourced from PubChem (CID 143261776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).