bis(2,2-dimorpholin-4-ylethyl) carbonate

C21H38N4O7 — CID 57080338

IUPACbis(2,2-dimorpholin-4-ylethyl) carbonate
SMILESO=C(OCC(N1CCOCC1)N1CCOCC1)OCC(N1CCOCC1)N1CCOCC1
InChIInChI=1S/C21H38N4O7/c26-21(31-17-19(22-1-9-27-10-2-22)23-3-11-28-12-4-23)32-18-20(24-5-13-29-14-6-24)25-7-15-30-16-8-25/h19-20H,1-18H2
InChIKeyYZRYLZKBFDATJD-UHFFFAOYSA-N
MW458.56 g/mol
LogP-0.88
Rot. Bonds8

About bis(2,2-dimorpholin-4-ylethyl) carbonate

bis(2,2-dimorpholin-4-ylethyl) carbonate (PubChem CID 57080338) has the molecular formula C21H38N4O7 and a molecular weight of 458.56 g/mol. Its IUPAC name is bis(2,2-dimorpholin-4-ylethyl) carbonate.

Molecular Properties

Compound Namebis(2,2-dimorpholin-4-ylethyl) carbonate
PubChem CID57080338
Molecular FormulaC21H38N4O7
Molecular Weight458.56 g/mol
Exact Mass458.27
IUPAC Namebis(2,2-dimorpholin-4-ylethyl) carbonate
SMILESO=C(OCC(N1CCOCC1)N1CCOCC1)OCC(N1CCOCC1)N1CCOCC1
InChIInChI=1S/C21H38N4O7/c26-21(31-17-19(22-1-9-27-10-2-22)23-3-11-28-12-4-23)32-18-20(24-5-13-29-14-6-24)25-7-15-30-16-8-25/h19-20H,1-18H2
InChIKeyYZRYLZKBFDATJD-UHFFFAOYSA-N
XLogP-0.88
TPSA85.41 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.56
LogP ≤ 5-0.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

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Frequently Asked Questions

What is the IUPAC name of bis(2,2-dimorpholin-4-ylethyl) carbonate?
The IUPAC name of bis(2,2-dimorpholin-4-ylethyl) carbonate (CID 57080338) is bis(2,2-dimorpholin-4-ylethyl) carbonate.
What is the SMILES notation for bis(2,2-dimorpholin-4-ylethyl) carbonate?
The canonical SMILES for bis(2,2-dimorpholin-4-ylethyl) carbonate is O=C(OCC(N1CCOCC1)N1CCOCC1)OCC(N1CCOCC1)N1CCOCC1.
What is the InChIKey of bis(2,2-dimorpholin-4-ylethyl) carbonate?
The InChIKey is YZRYLZKBFDATJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H38N4O7/c26-21(31-17-19(22-1-9-27-10-2-22)23-3-11-28-12-4-23)32-18-20(24-5-13-29-14-6-24)25-7-15-30-16-8-25/h19-20H,1-18H2.
What are the key properties of bis(2,2-dimorpholin-4-ylethyl) carbonate?
bis(2,2-dimorpholin-4-ylethyl) carbonate has a molecular weight of 458.56 g/mol, XLogP of -0.88, 8 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,2-dimorpholin-4-ylethyl) carbonate is sourced from PubChem (CID 57080338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).