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

C8H18ClNO4 — CID 23093533

IUPACethyl 2-[2-(methylamino)ethoxy]ethyl carbonate;hydrochloride
SMILESCCOC(=O)OCCOCCNC.Cl
InChIInChI=1S/C8H17NO4.ClH/c1-3-12-8(10)13-7-6-11-5-4-9-2;/h9H,3-7H2,1-2H3;1H
InChIKeyWOGGZMBVDFSATH-UHFFFAOYSA-N
MW227.69 g/mol
LogP0.82
Rot. Bonds7

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

ethyl 2-[2-(methylamino)ethoxy]ethyl carbonate;hydrochloride (PubChem CID 23093533) has the molecular formula C8H18ClNO4 and a molecular weight of 227.69 g/mol. Its IUPAC name is ethyl 2-[2-(methylamino)ethoxy]ethyl carbonate;hydrochloride.

Molecular Properties

Compound Nameethyl 2-[2-(methylamino)ethoxy]ethyl carbonate;hydrochloride
PubChem CID23093533
Molecular FormulaC8H18ClNO4
Molecular Weight227.69 g/mol
Exact Mass227.09
IUPAC Nameethyl 2-[2-(methylamino)ethoxy]ethyl carbonate;hydrochloride
SMILESCCOC(=O)OCCOCCNC.Cl
InChIInChI=1S/C8H17NO4.ClH/c1-3-12-8(10)13-7-6-11-5-4-9-2;/h9H,3-7H2,1-2H3;1H
InChIKeyWOGGZMBVDFSATH-UHFFFAOYSA-N
XLogP0.82
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 50.82
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;hydrochloride?
The IUPAC name of ethyl 2-[2-(methylamino)ethoxy]ethyl carbonate;hydrochloride (CID 23093533) is ethyl 2-[2-(methylamino)ethoxy]ethyl carbonate;hydrochloride.
What is the SMILES notation for ethyl 2-[2-(methylamino)ethoxy]ethyl carbonate;hydrochloride?
The canonical SMILES for ethyl 2-[2-(methylamino)ethoxy]ethyl carbonate;hydrochloride is CCOC(=O)OCCOCCNC.Cl.
What is the InChIKey of ethyl 2-[2-(methylamino)ethoxy]ethyl carbonate;hydrochloride?
The InChIKey is WOGGZMBVDFSATH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO4.ClH/c1-3-12-8(10)13-7-6-11-5-4-9-2;/h9H,3-7H2,1-2H3;1H.
What are the key properties of ethyl 2-[2-(methylamino)ethoxy]ethyl carbonate;hydrochloride?
ethyl 2-[2-(methylamino)ethoxy]ethyl carbonate;hydrochloride has a molecular weight of 227.69 g/mol, XLogP of 0.82, 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;hydrochloride is sourced from PubChem (CID 23093533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).