ethyl 2-[2-(methylamino)ethoxy]ethyl carbonate

C8H17NO4 — CID 23093534

IUPACethyl 2-[2-(methylamino)ethoxy]ethyl carbonate
SMILESCCOC(=O)OCCOCCNC
InChIInChI=1S/C8H17NO4/c1-3-12-8(10)13-7-6-11-5-4-9-2/h9H,3-7H2,1-2H3
InChIKeyPGSUJLHIEXLLGX-UHFFFAOYSA-N
MW191.23 g/mol
LogP0.40
Rot. Bonds7

About ethyl 2-[2-(methylamino)ethoxy]ethyl carbonate

ethyl 2-[2-(methylamino)ethoxy]ethyl carbonate (PubChem CID 23093534) has the molecular formula C8H17NO4 and a molecular weight of 191.23 g/mol. Its IUPAC name is ethyl 2-[2-(methylamino)ethoxy]ethyl carbonate.

Molecular Properties

Compound Nameethyl 2-[2-(methylamino)ethoxy]ethyl carbonate
PubChem CID23093534
Molecular FormulaC8H17NO4
Molecular Weight191.23 g/mol
Exact Mass191.12
IUPAC Nameethyl 2-[2-(methylamino)ethoxy]ethyl carbonate
SMILESCCOC(=O)OCCOCCNC
InChIInChI=1S/C8H17NO4/c1-3-12-8(10)13-7-6-11-5-4-9-2/h9H,3-7H2,1-2H3
InChIKeyPGSUJLHIEXLLGX-UHFFFAOYSA-N
XLogP0.40
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(methylamino)ethoxy]ethyl carbonate?
The IUPAC name of ethyl 2-[2-(methylamino)ethoxy]ethyl carbonate (CID 23093534) is ethyl 2-[2-(methylamino)ethoxy]ethyl carbonate.
What is the SMILES notation for ethyl 2-[2-(methylamino)ethoxy]ethyl carbonate?
The canonical SMILES for ethyl 2-[2-(methylamino)ethoxy]ethyl carbonate is CCOC(=O)OCCOCCNC.
What is the InChIKey of ethyl 2-[2-(methylamino)ethoxy]ethyl carbonate?
The InChIKey is PGSUJLHIEXLLGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO4/c1-3-12-8(10)13-7-6-11-5-4-9-2/h9H,3-7H2,1-2H3.
What are the key properties of ethyl 2-[2-(methylamino)ethoxy]ethyl carbonate?
ethyl 2-[2-(methylamino)ethoxy]ethyl carbonate has a molecular weight of 191.23 g/mol, XLogP of 0.40, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(methylamino)ethoxy]ethyl carbonate is sourced from PubChem (CID 23093534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).