bis(1,1-dimorpholin-4-ylethyl) carbonate

C21H38N4O7 — CID 70273238

IUPACbis(1,1-dimorpholin-4-ylethyl) carbonate
SMILESCC(OC(=O)OC(C)(N1CCOCC1)N1CCOCC1)(N1CCOCC1)N1CCOCC1
InChIInChI=1S/C21H38N4O7/c1-20(22-3-11-27-12-4-22,23-5-13-28-14-6-23)31-19(26)32-21(2,24-7-15-29-16-8-24)25-9-17-30-18-10-25/h3-18H2,1-2H3
InChIKeySFZKIOIQDGMLRI-UHFFFAOYSA-N
MW458.56 g/mol
LogP-0.18
Rot. Bonds6

About bis(1,1-dimorpholin-4-ylethyl) carbonate

bis(1,1-dimorpholin-4-ylethyl) carbonate (PubChem CID 70273238) has the molecular formula C21H38N4O7 and a molecular weight of 458.56 g/mol. Its IUPAC name is bis(1,1-dimorpholin-4-ylethyl) carbonate.

Molecular Properties

Compound Namebis(1,1-dimorpholin-4-ylethyl) carbonate
PubChem CID70273238
Molecular FormulaC21H38N4O7
Molecular Weight458.56 g/mol
Exact Mass458.27
IUPAC Namebis(1,1-dimorpholin-4-ylethyl) carbonate
SMILESCC(OC(=O)OC(C)(N1CCOCC1)N1CCOCC1)(N1CCOCC1)N1CCOCC1
InChIInChI=1S/C21H38N4O7/c1-20(22-3-11-27-12-4-22,23-5-13-28-14-6-23)31-19(26)32-21(2,24-7-15-29-16-8-24)25-9-17-30-18-10-25/h3-18H2,1-2H3
InChIKeySFZKIOIQDGMLRI-UHFFFAOYSA-N
XLogP-0.18
TPSA85.41 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.56
LogP ≤ 5-0.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

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Frequently Asked Questions

What is the IUPAC name of bis(1,1-dimorpholin-4-ylethyl) carbonate?
The IUPAC name of bis(1,1-dimorpholin-4-ylethyl) carbonate (CID 70273238) is bis(1,1-dimorpholin-4-ylethyl) carbonate.
What is the SMILES notation for bis(1,1-dimorpholin-4-ylethyl) carbonate?
The canonical SMILES for bis(1,1-dimorpholin-4-ylethyl) carbonate is CC(OC(=O)OC(C)(N1CCOCC1)N1CCOCC1)(N1CCOCC1)N1CCOCC1.
What is the InChIKey of bis(1,1-dimorpholin-4-ylethyl) carbonate?
The InChIKey is SFZKIOIQDGMLRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H38N4O7/c1-20(22-3-11-27-12-4-22,23-5-13-28-14-6-23)31-19(26)32-21(2,24-7-15-29-16-8-24)25-9-17-30-18-10-25/h3-18H2,1-2H3.
What are the key properties of bis(1,1-dimorpholin-4-ylethyl) carbonate?
bis(1,1-dimorpholin-4-ylethyl) carbonate has a molecular weight of 458.56 g/mol, XLogP of -0.18, 6 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1,1-dimorpholin-4-ylethyl) carbonate is sourced from PubChem (CID 70273238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).