8-O-(2,5-dioxopyrrolidin-1-yl) 1-O-dodecyl octanedioate

C24H41NO6 — CID 176740436

IUPAC8-O-(2,5-dioxopyrrolidin-1-yl) 1-O-dodecyl octanedioate
SMILESCCCCCCCCCCCCOC(=O)CCCCCCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C24H41NO6/c1-2-3-4-5-6-7-8-9-12-15-20-30-23(28)16-13-10-11-14-17-24(29)31-25-21(26)18-19-22(25)27/h2-20H2,1H3
InChIKeyUVCKCTXQFBKDHK-UHFFFAOYSA-N
MW439.59 g/mol
LogP5.40
Rot. Bonds19

About 8-O-(2,5-dioxopyrrolidin-1-yl) 1-O-dodecyl octanedioate

8-O-(2,5-dioxopyrrolidin-1-yl) 1-O-dodecyl octanedioate (PubChem CID 176740436) has the molecular formula C24H41NO6 and a molecular weight of 439.59 g/mol. Its IUPAC name is 8-O-(2,5-dioxopyrrolidin-1-yl) 1-O-dodecyl octanedioate.

Molecular Properties

Compound Name8-O-(2,5-dioxopyrrolidin-1-yl) 1-O-dodecyl octanedioate
PubChem CID176740436
Molecular FormulaC24H41NO6
Molecular Weight439.59 g/mol
Exact Mass439.29
IUPAC Name8-O-(2,5-dioxopyrrolidin-1-yl) 1-O-dodecyl octanedioate
SMILESCCCCCCCCCCCCOC(=O)CCCCCCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C24H41NO6/c1-2-3-4-5-6-7-8-9-12-15-20-30-23(28)16-13-10-11-14-17-24(29)31-25-21(26)18-19-22(25)27/h2-20H2,1H3
InChIKeyUVCKCTXQFBKDHK-UHFFFAOYSA-N
XLogP5.40
TPSA89.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds19
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.59
LogP ≤ 55.40
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

(2,5-dioxopyrrolidin-1-yl) pentadecanoate
CID 13377057
5-O-(2,5-dioxopyrrolidin-1-yl) 1-O-propyl pentanedioate
CID 88545010
undecyl 6-(2,5-dioxopyrrolidin-1-yl)hexanoate
CID 56837638
10-O-(2,5-dioxopyrrolidin-1-yl) 1-O-(2-hydroxyethyl) decanedioate
CID 174881111
(2,5-dioxopyrrolidin-1-yl) undecanoate;pyrrole-2,5-dione
CID 174768072
(2,5-dioxopyrrolidin-1-yl) (Z)-docos-13-enoate
CID 6443861
(2,5-dioxopyrrolidin-1-yl) 7-methoxyheptanoate
CID 90394451
(2,5-dioxopyrrolidin-1-yl) 9-amino-9-oxononanoate
CID 142436920
(2,5-dioxopyrrolidin-1-yl)oxycarbonyl heptadecanoate
CID 87411738
tetracosyl tetracontanoate
CID 168953173
6-O-heptyl 1-O-hexyl hexanedioate
CID 91714009
heptyl nonadecanoate
CID 159603611

Frequently Asked Questions

What is the IUPAC name of 8-O-(2,5-dioxopyrrolidin-1-yl) 1-O-dodecyl octanedioate?
The IUPAC name of 8-O-(2,5-dioxopyrrolidin-1-yl) 1-O-dodecyl octanedioate (CID 176740436) is 8-O-(2,5-dioxopyrrolidin-1-yl) 1-O-dodecyl octanedioate.
What is the SMILES notation for 8-O-(2,5-dioxopyrrolidin-1-yl) 1-O-dodecyl octanedioate?
The canonical SMILES for 8-O-(2,5-dioxopyrrolidin-1-yl) 1-O-dodecyl octanedioate is CCCCCCCCCCCCOC(=O)CCCCCCC(=O)ON1C(=O)CCC1=O.
What is the InChIKey of 8-O-(2,5-dioxopyrrolidin-1-yl) 1-O-dodecyl octanedioate?
The InChIKey is UVCKCTXQFBKDHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H41NO6/c1-2-3-4-5-6-7-8-9-12-15-20-30-23(28)16-13-10-11-14-17-24(29)31-25-21(26)18-19-22(25)27/h2-20H2,1H3.
What are the key properties of 8-O-(2,5-dioxopyrrolidin-1-yl) 1-O-dodecyl octanedioate?
8-O-(2,5-dioxopyrrolidin-1-yl) 1-O-dodecyl octanedioate has a molecular weight of 439.59 g/mol, XLogP of 5.40, 19 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-O-(2,5-dioxopyrrolidin-1-yl) 1-O-dodecyl octanedioate is sourced from PubChem (CID 176740436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).