Methyl 2-(1-ethoxyethoxy)propanoate

C8H16O4 — CID 13693187

IUPACmethyl 2-(1-ethoxyethoxy)propanoate
SMILESCCOC(C)OC(C)C(=O)OC
InChIInChI=1S/C8H16O4/c1-5-11-7(3)12-6(2)8(9)10-4/h6-7H,5H2,1-4H3
InChIKeyDZRPDVXHMQGLJE-UHFFFAOYSA-N
MW176.21 g/mol
LogP1.10
Rot. Bonds6

About Methyl 2-(1-ethoxyethoxy)propanoate

Methyl 2-(1-ethoxyethoxy)propanoate (PubChem CID 13693187) has the molecular formula C8H16O4 and a molecular weight of 176.21 g/mol. Its IUPAC name is methyl 2-(1-ethoxyethoxy)propanoate.

Molecular Properties

Compound NameMethyl 2-(1-ethoxyethoxy)propanoate
PubChem CID13693187
Molecular FormulaC8H16O4
Molecular Weight176.21 g/mol
Exact Mass176.10
IUPAC Namemethyl 2-(1-ethoxyethoxy)propanoate
SMILESCCOC(C)OC(C)C(=O)OC
InChIInChI=1S/C8H16O4/c1-5-11-7(3)12-6(2)8(9)10-4/h6-7H,5H2,1-4H3
InChIKeyDZRPDVXHMQGLJE-UHFFFAOYSA-N
XLogP1.10
TPSA44.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms12
Complexity135

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.21
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of Methyl 2-(1-ethoxyethoxy)propanoate?
The IUPAC name of Methyl 2-(1-ethoxyethoxy)propanoate (CID 13693187) is methyl 2-(1-ethoxyethoxy)propanoate.
What is the SMILES notation for Methyl 2-(1-ethoxyethoxy)propanoate?
The canonical SMILES for Methyl 2-(1-ethoxyethoxy)propanoate is CCOC(C)OC(C)C(=O)OC.
What is the InChIKey of Methyl 2-(1-ethoxyethoxy)propanoate?
The InChIKey is DZRPDVXHMQGLJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O4/c1-5-11-7(3)12-6(2)8(9)10-4/h6-7H,5H2,1-4H3.
What are the key properties of Methyl 2-(1-ethoxyethoxy)propanoate?
Methyl 2-(1-ethoxyethoxy)propanoate has a molecular weight of 176.21 g/mol, XLogP of 1.10, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for Methyl 2-(1-ethoxyethoxy)propanoate is sourced from PubChem (CID 13693187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).