(2,5-dioxopyrrolidin-1-yl) 3-dodecoxypropyl carbonate

C20H35NO6 — CID 175366998

IUPAC(2,5-dioxopyrrolidin-1-yl) 3-dodecoxypropyl carbonate
SMILESCCCCCCCCCCCCOCCCOC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C20H35NO6/c1-2-3-4-5-6-7-8-9-10-11-15-25-16-12-17-26-20(24)27-21-18(22)13-14-19(21)23/h2-17H2,1H3
InChIKeyZITCZYKVUSXQNY-UHFFFAOYSA-N
MW385.50 g/mol
LogP4.53
Rot. Bonds16

About (2,5-dioxopyrrolidin-1-yl) 3-dodecoxypropyl carbonate

(2,5-dioxopyrrolidin-1-yl) 3-dodecoxypropyl carbonate (PubChem CID 175366998) has the molecular formula C20H35NO6 and a molecular weight of 385.50 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 3-dodecoxypropyl carbonate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 3-dodecoxypropyl carbonate
PubChem CID175366998
Molecular FormulaC20H35NO6
Molecular Weight385.50 g/mol
Exact Mass385.25
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 3-dodecoxypropyl carbonate
SMILESCCCCCCCCCCCCOCCCOC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C20H35NO6/c1-2-3-4-5-6-7-8-9-10-11-15-25-16-12-17-26-20(24)27-21-18(22)13-14-19(21)23/h2-17H2,1H3
InChIKeyZITCZYKVUSXQNY-UHFFFAOYSA-N
XLogP4.53
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.50
LogP ≤ 54.53
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) 3-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxypropoxymethyl]-3-methoxy-2-(methoxymethyl)propoxy]propyl carbonate
CID 122473983
2-[2-(2,6-dioxopiperidin-1-yl)oxycarbonyloxyethoxy]ethyl dodecanoate
CID 143261786
3-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxypropyl 2-methylpropanoate
CID 87715576
8-O-(2,5-dioxopyrrolidin-1-yl) 1-O-dodecyl octanedioate
CID 176740436
(2,5-dioxopyrrolidin-1-yl) 2-methoxyethyl carbonate
CID 59130156
(2,5-dioxopyrrolidin-1-yl)oxycarbonyl heptadecanoate
CID 87411738
4-O-(2,5-dioxopyrrolidin-1-yl) 1-O-[3-[3-[4-(2,5-dioxopyrrolidin-1-yl)oxy-4-oxobutanoyl]oxypropoxy]propyl] butanedioate
CID 160965855
(2,5-dioxopyrrolidin-1-yl) pentadecanoate
CID 13377057
(2,5-dioxopyrrolidin-1-yl) pent-4-ynyl carbonate
CID 169105698
2-(2-butoxyethoxy)ethyl hexyl carbonate
CID 87247659
(2,5-dioxopyrrolidin-1-yl) 2-(5-tritiopentyldisulfanyl)ethyl carbonate
CID 58371253
3-butoxypropyl butyl carbonate
CID 87247588

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 3-dodecoxypropyl carbonate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 3-dodecoxypropyl carbonate (CID 175366998) is (2,5-dioxopyrrolidin-1-yl) 3-dodecoxypropyl carbonate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 3-dodecoxypropyl carbonate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 3-dodecoxypropyl carbonate is CCCCCCCCCCCCOCCCOC(=O)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 3-dodecoxypropyl carbonate?
The InChIKey is ZITCZYKVUSXQNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35NO6/c1-2-3-4-5-6-7-8-9-10-11-15-25-16-12-17-26-20(24)27-21-18(22)13-14-19(21)23/h2-17H2,1H3.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 3-dodecoxypropyl carbonate?
(2,5-dioxopyrrolidin-1-yl) 3-dodecoxypropyl carbonate has a molecular weight of 385.50 g/mol, XLogP of 4.53, 16 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 3-dodecoxypropyl carbonate is sourced from PubChem (CID 175366998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).