undecyl 6-(2,5-dioxopyrrolidin-1-yl)hexanoate

C21H37NO4 — CID 56837638

IUPACundecyl 6-(2,5-dioxopyrrolidin-1-yl)hexanoate
SMILESCCCCCCCCCCCOC(=O)CCCCCN1C(=O)CCC1=O
InChIInChI=1S/C21H37NO4/c1-2-3-4-5-6-7-8-9-13-18-26-21(25)14-11-10-12-17-22-19(23)15-16-20(22)24/h2-18H2,1H3
InChIKeyJJKDUVVDSZRMHV-UHFFFAOYSA-N
MW367.53 g/mol
LogP4.77
Rot. Bonds16

About undecyl 6-(2,5-dioxopyrrolidin-1-yl)hexanoate

undecyl 6-(2,5-dioxopyrrolidin-1-yl)hexanoate (PubChem CID 56837638) has the molecular formula C21H37NO4 and a molecular weight of 367.53 g/mol. Its IUPAC name is undecyl 6-(2,5-dioxopyrrolidin-1-yl)hexanoate.

Molecular Properties

Compound Nameundecyl 6-(2,5-dioxopyrrolidin-1-yl)hexanoate
PubChem CID56837638
Molecular FormulaC21H37NO4
Molecular Weight367.53 g/mol
Exact Mass367.27
IUPAC Nameundecyl 6-(2,5-dioxopyrrolidin-1-yl)hexanoate
SMILESCCCCCCCCCCCOC(=O)CCCCCN1C(=O)CCC1=O
InChIInChI=1S/C21H37NO4/c1-2-3-4-5-6-7-8-9-13-18-26-21(25)14-11-10-12-17-22-19(23)15-16-20(22)24/h2-18H2,1H3
InChIKeyJJKDUVVDSZRMHV-UHFFFAOYSA-N
XLogP4.77
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.53
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

8-O-(2,5-dioxopyrrolidin-1-yl) 1-O-dodecyl octanedioate
CID 176740436
pentacosyl octadecanoate
CID 3085781
1-O-heptyl 10-O-hexadecyl decanedioate
CID 91729407
dioctyl tridecanedioate
CID 54130033
18-pentadecanoyloxyoctadecyl pentadecanoate
CID 170848245
dihexyl octanedioate
CID 524365
6-O-hexadecyl 1-O-octyl hexanedioate
CID 19751184
octacosyl octacosanoate
CID 71369196
14-O-[14-[14-oxo-14-(14-tetradecanoyloxytetradecoxy)tetradecanoyl]oxytetradecyl] 1-O-(14-tetradecanoyloxytetradecyl) tetradecanedioate
CID 102181695
dodecyl henicosanoate
CID 170848157
icosyl tricosanoate
CID 168953067
nonadecyl tridecanoate
CID 159824193

Frequently Asked Questions

What is the IUPAC name of undecyl 6-(2,5-dioxopyrrolidin-1-yl)hexanoate?
The IUPAC name of undecyl 6-(2,5-dioxopyrrolidin-1-yl)hexanoate (CID 56837638) is undecyl 6-(2,5-dioxopyrrolidin-1-yl)hexanoate.
What is the SMILES notation for undecyl 6-(2,5-dioxopyrrolidin-1-yl)hexanoate?
The canonical SMILES for undecyl 6-(2,5-dioxopyrrolidin-1-yl)hexanoate is CCCCCCCCCCCOC(=O)CCCCCN1C(=O)CCC1=O.
What is the InChIKey of undecyl 6-(2,5-dioxopyrrolidin-1-yl)hexanoate?
The InChIKey is JJKDUVVDSZRMHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H37NO4/c1-2-3-4-5-6-7-8-9-13-18-26-21(25)14-11-10-12-17-22-19(23)15-16-20(22)24/h2-18H2,1H3.
What are the key properties of undecyl 6-(2,5-dioxopyrrolidin-1-yl)hexanoate?
undecyl 6-(2,5-dioxopyrrolidin-1-yl)hexanoate has a molecular weight of 367.53 g/mol, XLogP of 4.77, 16 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for undecyl 6-(2,5-dioxopyrrolidin-1-yl)hexanoate is sourced from PubChem (CID 56837638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).