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

C20H35NO4 — CID 56837637

IUPACdecyl 6-(2,5-dioxopyrrolidin-1-yl)hexanoate
SMILESCCCCCCCCCCOC(=O)CCCCCN1C(=O)CCC1=O
InChIInChI=1S/C20H35NO4/c1-2-3-4-5-6-7-8-12-17-25-20(24)13-10-9-11-16-21-18(22)14-15-19(21)23/h2-17H2,1H3
InChIKeyGQZVFXWVMMPYEI-UHFFFAOYSA-N
MW353.50 g/mol
LogP4.38
Rot. Bonds15

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

decyl 6-(2,5-dioxopyrrolidin-1-yl)hexanoate (PubChem CID 56837637) has the molecular formula C20H35NO4 and a molecular weight of 353.50 g/mol. Its IUPAC name is decyl 6-(2,5-dioxopyrrolidin-1-yl)hexanoate.

Molecular Properties

Compound Namedecyl 6-(2,5-dioxopyrrolidin-1-yl)hexanoate
PubChem CID56837637
Molecular FormulaC20H35NO4
Molecular Weight353.50 g/mol
Exact Mass353.26
IUPAC Namedecyl 6-(2,5-dioxopyrrolidin-1-yl)hexanoate
SMILESCCCCCCCCCCOC(=O)CCCCCN1C(=O)CCC1=O
InChIInChI=1S/C20H35NO4/c1-2-3-4-5-6-7-8-12-17-25-20(24)13-10-9-11-16-21-18(22)14-15-19(21)23/h2-17H2,1H3
InChIKeyGQZVFXWVMMPYEI-UHFFFAOYSA-N
XLogP4.38
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.50
LogP ≤ 54.38
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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Frequently Asked Questions

What is the IUPAC name of decyl 6-(2,5-dioxopyrrolidin-1-yl)hexanoate?
The IUPAC name of decyl 6-(2,5-dioxopyrrolidin-1-yl)hexanoate (CID 56837637) is decyl 6-(2,5-dioxopyrrolidin-1-yl)hexanoate.
What is the SMILES notation for decyl 6-(2,5-dioxopyrrolidin-1-yl)hexanoate?
The canonical SMILES for decyl 6-(2,5-dioxopyrrolidin-1-yl)hexanoate is CCCCCCCCCCOC(=O)CCCCCN1C(=O)CCC1=O.
What is the InChIKey of decyl 6-(2,5-dioxopyrrolidin-1-yl)hexanoate?
The InChIKey is GQZVFXWVMMPYEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35NO4/c1-2-3-4-5-6-7-8-12-17-25-20(24)13-10-9-11-16-21-18(22)14-15-19(21)23/h2-17H2,1H3.
What are the key properties of decyl 6-(2,5-dioxopyrrolidin-1-yl)hexanoate?
decyl 6-(2,5-dioxopyrrolidin-1-yl)hexanoate has a molecular weight of 353.50 g/mol, XLogP of 4.38, 15 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for decyl 6-(2,5-dioxopyrrolidin-1-yl)hexanoate is sourced from PubChem (CID 56837637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).