dimethylcarbamoyl ethyl carbonate

C6H11NO4 — CID 139667668

IUPACdimethylcarbamoyl ethyl carbonate
SMILESCCOC(=O)OC(=O)N(C)C
InChIInChI=1S/C6H11NO4/c1-4-10-6(9)11-5(8)7(2)3/h4H2,1-3H3
InChIKeyLEXRJGGXHIWKBW-UHFFFAOYSA-N
MW161.16 g/mol
LogP0.84
Rot. Bonds1

About dimethylcarbamoyl ethyl carbonate

dimethylcarbamoyl ethyl carbonate (PubChem CID 139667668) has the molecular formula C6H11NO4 and a molecular weight of 161.16 g/mol. Its IUPAC name is dimethylcarbamoyl ethyl carbonate.

Molecular Properties

Compound Namedimethylcarbamoyl ethyl carbonate
PubChem CID139667668
Molecular FormulaC6H11NO4
Molecular Weight161.16 g/mol
Exact Mass161.07
IUPAC Namedimethylcarbamoyl ethyl carbonate
SMILESCCOC(=O)OC(=O)N(C)C
InChIInChI=1S/C6H11NO4/c1-4-10-6(9)11-5(8)7(2)3/h4H2,1-3H3
InChIKeyLEXRJGGXHIWKBW-UHFFFAOYSA-N
XLogP0.84
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

ethoxycarbonyl acetate
CID 169432619
diethyl carbonate;N,N-dimethylmethanamine
CID 88502244
CID 175796855
CID 175796855
ethoxycarbonyl 2-fluoroacetate;palladium
CID 174611584
bis(ethoxycarbonyl) octanedioate
CID 175404466
ethoxycarbonyl 2-amino-2-oxoacetate
CID 174250262
magnesium;diethyl carbonate;hydride
CID 173249173
acetylene;diethyl carbonate
CID 87073597
benzene;ethane;ethyl N,N-dimethylcarbamate;methoxyethane
CID 160556714
ethoxycarbonyl 2,2-diethylbutanoate
CID 174363813
ethoxycarbonyl (2S)-2-aminopropanoate
CID 57068155
ethoxycarbonyl (3S)-3-aminopent-4-ynoate
CID 174301335

Frequently Asked Questions

What is the IUPAC name of dimethylcarbamoyl ethyl carbonate?
The IUPAC name of dimethylcarbamoyl ethyl carbonate (CID 139667668) is dimethylcarbamoyl ethyl carbonate.
What is the SMILES notation for dimethylcarbamoyl ethyl carbonate?
The canonical SMILES for dimethylcarbamoyl ethyl carbonate is CCOC(=O)OC(=O)N(C)C.
What is the InChIKey of dimethylcarbamoyl ethyl carbonate?
The InChIKey is LEXRJGGXHIWKBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO4/c1-4-10-6(9)11-5(8)7(2)3/h4H2,1-3H3.
What are the key properties of dimethylcarbamoyl ethyl carbonate?
dimethylcarbamoyl ethyl carbonate has a molecular weight of 161.16 g/mol, XLogP of 0.84, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethylcarbamoyl ethyl carbonate is sourced from PubChem (CID 139667668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).