diethyl carbonate;N,N-dimethylmethanamine

C8H19NO3 — CID 88502244

IUPACdiethyl carbonate;N,N-dimethylmethanamine
SMILESCCOC(=O)OCC.CN(C)C
InChIInChI=1S/C5H10O3.C3H9N/c1-3-7-5(6)8-4-2;1-4(2)3/h3-4H2,1-2H3;1-3H3
InChIKeyCEJXGRDIVCSJRP-UHFFFAOYSA-N
MW177.24 g/mol
LogP1.36
Rot. Bonds2

About diethyl carbonate;N,N-dimethylmethanamine

diethyl carbonate;N,N-dimethylmethanamine (PubChem CID 88502244) has the molecular formula C8H19NO3 and a molecular weight of 177.24 g/mol. Its IUPAC name is diethyl carbonate;N,N-dimethylmethanamine.

Molecular Properties

Compound Namediethyl carbonate;N,N-dimethylmethanamine
PubChem CID88502244
Molecular FormulaC8H19NO3
Molecular Weight177.24 g/mol
Exact Mass177.14
IUPAC Namediethyl carbonate;N,N-dimethylmethanamine
SMILESCCOC(=O)OCC.CN(C)C
InChIInChI=1S/C5H10O3.C3H9N/c1-3-7-5(6)8-4-2;1-4(2)3/h3-4H2,1-2H3;1-3H3
InChIKeyCEJXGRDIVCSJRP-UHFFFAOYSA-N
XLogP1.36
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.24
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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ethoxycarbonyloxymethoxymethyl ethyl carbonate
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dimethylcarbamoyl ethyl carbonate
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ethyl 3,3,3-trifluoropropyl carbonate
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(2-chloro-2-oxoethyl) ethyl carbonate
CID 90058161
ethyl 2-oxoethyl carbonate
CID 87169722

Frequently Asked Questions

What is the IUPAC name of diethyl carbonate;N,N-dimethylmethanamine?
The IUPAC name of diethyl carbonate;N,N-dimethylmethanamine (CID 88502244) is diethyl carbonate;N,N-dimethylmethanamine.
What is the SMILES notation for diethyl carbonate;N,N-dimethylmethanamine?
The canonical SMILES for diethyl carbonate;N,N-dimethylmethanamine is CCOC(=O)OCC.CN(C)C.
What is the InChIKey of diethyl carbonate;N,N-dimethylmethanamine?
The InChIKey is CEJXGRDIVCSJRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O3.C3H9N/c1-3-7-5(6)8-4-2;1-4(2)3/h3-4H2,1-2H3;1-3H3.
What are the key properties of diethyl carbonate;N,N-dimethylmethanamine?
diethyl carbonate;N,N-dimethylmethanamine has a molecular weight of 177.24 g/mol, XLogP of 1.36, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl carbonate;N,N-dimethylmethanamine is sourced from PubChem (CID 88502244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).