15-O-(2,5-dioxopyrrolidin-1-yl) 1-O-methyl pentadecanedioate

C20H33NO6 — CID 133054379

IUPAC15-O-(2,5-dioxopyrrolidin-1-yl) 1-O-methyl pentadecanedioate
SMILESCOC(=O)CCCCCCCCCCCCCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C20H33NO6/c1-26-19(24)13-11-9-7-5-3-2-4-6-8-10-12-14-20(25)27-21-17(22)15-16-18(21)23/h2-16H2,1H3
InChIKeyGJIHOJFSZLBOSO-UHFFFAOYSA-N
MW383.49 g/mol
LogP3.84
Rot. Bonds15

About 15-O-(2,5-dioxopyrrolidin-1-yl) 1-O-methyl pentadecanedioate

15-O-(2,5-dioxopyrrolidin-1-yl) 1-O-methyl pentadecanedioate (PubChem CID 133054379) has the molecular formula C20H33NO6 and a molecular weight of 383.49 g/mol. Its IUPAC name is 15-O-(2,5-dioxopyrrolidin-1-yl) 1-O-methyl pentadecanedioate.

Molecular Properties

Compound Name15-O-(2,5-dioxopyrrolidin-1-yl) 1-O-methyl pentadecanedioate
PubChem CID133054379
Molecular FormulaC20H33NO6
Molecular Weight383.49 g/mol
Exact Mass383.23
IUPAC Name15-O-(2,5-dioxopyrrolidin-1-yl) 1-O-methyl pentadecanedioate
SMILESCOC(=O)CCCCCCCCCCCCCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C20H33NO6/c1-26-19(24)13-11-9-7-5-3-2-4-6-8-10-12-14-20(25)27-21-17(22)15-16-18(21)23/h2-16H2,1H3
InChIKeyGJIHOJFSZLBOSO-UHFFFAOYSA-N
XLogP3.84
TPSA89.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

N-Hydroxysuccinimide suberic acid ester
CID 100658
DSSeb
CID 3430836
Succinimidyl laurate
CID 2802515
N-Succinimidyl Tetradecanoate
CID 4229289
Palmitic acid N-hydroxysuccinimide
CID 4620598
N-Succinimidyl Decanoate
CID 12535336
8-((2,5-Dioxopyrrolidin-1-yl)oxy)-8-oxooctanoic acid
CID 71340631
1-(2,5-Dioxopyrrolidin-1-yl) 12-methyl dodecanedioate
CID 132010223
2,5-Dioxopyrrolidin-1-YL octanoate
CID 3542774
2,5-Dioxopyrrolidin-1-yl stearate
CID 3552761
Methyl N-Succinimidyl Adipate
CID 4458286
2,5-Dioxopyrrolidin-1-yl pentacosa-10,12-diynoate
CID 12184763

Frequently Asked Questions

What is the IUPAC name of 15-O-(2,5-dioxopyrrolidin-1-yl) 1-O-methyl pentadecanedioate?
The IUPAC name of 15-O-(2,5-dioxopyrrolidin-1-yl) 1-O-methyl pentadecanedioate (CID 133054379) is 15-O-(2,5-dioxopyrrolidin-1-yl) 1-O-methyl pentadecanedioate.
What is the SMILES notation for 15-O-(2,5-dioxopyrrolidin-1-yl) 1-O-methyl pentadecanedioate?
The canonical SMILES for 15-O-(2,5-dioxopyrrolidin-1-yl) 1-O-methyl pentadecanedioate is COC(=O)CCCCCCCCCCCCCC(=O)ON1C(=O)CCC1=O.
What is the InChIKey of 15-O-(2,5-dioxopyrrolidin-1-yl) 1-O-methyl pentadecanedioate?
The InChIKey is GJIHOJFSZLBOSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33NO6/c1-26-19(24)13-11-9-7-5-3-2-4-6-8-10-12-14-20(25)27-21-17(22)15-16-18(21)23/h2-16H2,1H3.
What are the key properties of 15-O-(2,5-dioxopyrrolidin-1-yl) 1-O-methyl pentadecanedioate?
15-O-(2,5-dioxopyrrolidin-1-yl) 1-O-methyl pentadecanedioate has a molecular weight of 383.49 g/mol, XLogP of 3.84, 15 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 15-O-(2,5-dioxopyrrolidin-1-yl) 1-O-methyl pentadecanedioate is sourced from PubChem (CID 133054379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).