2-[2-(2,6-dioxopiperidin-1-yl)oxycarbonyloxyethoxy]ethyl dodecanoate

C22H37NO8 — CID 143261786

IUPAC2-[2-(2,6-dioxopiperidin-1-yl)oxycarbonyloxyethoxy]ethyl dodecanoate
SMILESCCCCCCCCCCCC(=O)OCCOCCOC(=O)ON1C(=O)CCCC1=O
InChIInChI=1S/C22H37NO8/c1-2-3-4-5-6-7-8-9-10-14-21(26)29-17-15-28-16-18-30-22(27)31-23-19(24)12-11-13-20(23)25/h2-18H2,1H3
InChIKeyKJYHFUICJRSGFY-UHFFFAOYSA-N
MW443.54 g/mol
LogP4.07
Rot. Bonds17

About 2-[2-(2,6-dioxopiperidin-1-yl)oxycarbonyloxyethoxy]ethyl dodecanoate

2-[2-(2,6-dioxopiperidin-1-yl)oxycarbonyloxyethoxy]ethyl dodecanoate (PubChem CID 143261786) has the molecular formula C22H37NO8 and a molecular weight of 443.54 g/mol. Its IUPAC name is 2-[2-(2,6-dioxopiperidin-1-yl)oxycarbonyloxyethoxy]ethyl dodecanoate.

Molecular Properties

Compound Name2-[2-(2,6-dioxopiperidin-1-yl)oxycarbonyloxyethoxy]ethyl dodecanoate
PubChem CID143261786
Molecular FormulaC22H37NO8
Molecular Weight443.54 g/mol
Exact Mass443.25
IUPAC Name2-[2-(2,6-dioxopiperidin-1-yl)oxycarbonyloxyethoxy]ethyl dodecanoate
SMILESCCCCCCCCCCCC(=O)OCCOCCOC(=O)ON1C(=O)CCCC1=O
InChIInChI=1S/C22H37NO8/c1-2-3-4-5-6-7-8-9-10-14-21(26)29-17-15-28-16-18-30-22(27)31-23-19(24)12-11-13-20(23)25/h2-18H2,1H3
InChIKeyKJYHFUICJRSGFY-UHFFFAOYSA-N
XLogP4.07
TPSA108.44 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds17
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.54
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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) 3-dodecoxypropyl carbonate
CID 175366998
8-O-(2,5-dioxopyrrolidin-1-yl) 1-O-dodecyl octanedioate
CID 176740436
bis(2,5-dioxopyrrolidin-1-yl) carbonate;2-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxyethyl hexanoate;2-hydroxyethyl hexanoate;methane;molecular iodine;triiodide;hydroiodide
CID 159706413
2-(2-dotriacontanoyloxyethoxy)ethyl dotriacontanoate
CID 102240305
2-[2-(2-decanoyloxyethoxy)ethoxy]ethyl decanoate
CID 7787
2-[2-[2-(2-pentadecanoyloxyethoxy)ethoxy]ethoxy]ethyl pentadecanoate
CID 54361642
2-(2-heptadecanoyloxyethoxy)ethyl heptadecanoate
CID 102240292
(2,5-dioxopyrrolidin-1-yl)oxycarbonyl heptadecanoate
CID 87411738
5-O-(2,5-dioxopyrrolidin-1-yl) 1-O-[2-[2-[2-[5-(2,5-dioxopyrrolidin-1-yl)oxy-5-oxopentanoyl]oxyethoxy]ethoxy]ethyl] pentanedioate
CID 162161895
(2,5-dioxopyrrolidin-1-yl) pentadecanoate
CID 13377057
2-[2-(2-ethoxyethoxy)ethoxy]ethyl hexadecanoate
CID 150033358
4-O-(2,5-dioxopyrrolidin-1-yl) 1-O-[2-(3-ethoxypropoxy)ethyl] butanedioate
CID 58559852

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,6-dioxopiperidin-1-yl)oxycarbonyloxyethoxy]ethyl dodecanoate?
The IUPAC name of 2-[2-(2,6-dioxopiperidin-1-yl)oxycarbonyloxyethoxy]ethyl dodecanoate (CID 143261786) is 2-[2-(2,6-dioxopiperidin-1-yl)oxycarbonyloxyethoxy]ethyl dodecanoate.
What is the SMILES notation for 2-[2-(2,6-dioxopiperidin-1-yl)oxycarbonyloxyethoxy]ethyl dodecanoate?
The canonical SMILES for 2-[2-(2,6-dioxopiperidin-1-yl)oxycarbonyloxyethoxy]ethyl dodecanoate is CCCCCCCCCCCC(=O)OCCOCCOC(=O)ON1C(=O)CCCC1=O.
What is the InChIKey of 2-[2-(2,6-dioxopiperidin-1-yl)oxycarbonyloxyethoxy]ethyl dodecanoate?
The InChIKey is KJYHFUICJRSGFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H37NO8/c1-2-3-4-5-6-7-8-9-10-14-21(26)29-17-15-28-16-18-30-22(27)31-23-19(24)12-11-13-20(23)25/h2-18H2,1H3.
What are the key properties of 2-[2-(2,6-dioxopiperidin-1-yl)oxycarbonyloxyethoxy]ethyl dodecanoate?
2-[2-(2,6-dioxopiperidin-1-yl)oxycarbonyloxyethoxy]ethyl dodecanoate has a molecular weight of 443.54 g/mol, XLogP of 4.07, 17 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,6-dioxopiperidin-1-yl)oxycarbonyloxyethoxy]ethyl dodecanoate is sourced from PubChem (CID 143261786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).