methyl 2-(2-ethoxyethoxy)propanoate

C8H16O4 — CID 61234478

IUPACmethyl 2-(2-ethoxyethoxy)propanoate
SMILESCCOCCOC(C)C(=O)OC
InChIInChI=1S/C8H16O4/c1-4-11-5-6-12-7(2)8(9)10-3/h7H,4-6H2,1-3H3
InChIKeyHSCCGDBWEWLVSM-UHFFFAOYSA-N
MW176.21 g/mol
LogP0.60
Rot. Bonds6

About methyl 2-(2-ethoxyethoxy)propanoate

methyl 2-(2-ethoxyethoxy)propanoate (PubChem CID 61234478) has the molecular formula C8H16O4 and a molecular weight of 176.21 g/mol. Its IUPAC name is methyl 2-(2-ethoxyethoxy)propanoate.

Molecular Properties

Compound Namemethyl 2-(2-ethoxyethoxy)propanoate
PubChem CID61234478
Molecular FormulaC8H16O4
Molecular Weight176.21 g/mol
Exact Mass176.10
IUPAC Namemethyl 2-(2-ethoxyethoxy)propanoate
SMILESCCOCCOC(C)C(=O)OC
InChIInChI=1S/C8H16O4/c1-4-11-5-6-12-7(2)8(9)10-3/h7H,4-6H2,1-3H3
InChIKeyHSCCGDBWEWLVSM-UHFFFAOYSA-N
XLogP0.60
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.21
LogP ≤ 50.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl (2R)-2-(2-butoxyethoxy)propanoate
CID 103337806
2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 172850156
2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl methyl carbonate
CID 87247613
methyl 2-(2-hydroxyethoxy)propanoate
CID 15099863
methyl 2-(2-aminoethoxy)propanoate;hydrochloride
CID 175589324
methyl (2S)-2-hexoxypropanoate
CID 103337819
methyl 2-dodecoxypropanoate
CID 86244254
N-(3-aminopropyl)-2-(2-ethoxyethoxy)propanamide
CID 119407373
2-ethoxyethyl (2R)-2-methylbutanoate
CID 59033497
methyl 5-ethoxy-2-methylpentanoate
CID 123669552
methyl (2S)-2-(3-methylbut-3-enoxy)propanoate
CID 103338255
N-(1-amino-2,4-dimethylpentan-2-yl)-2-(2-ethoxyethoxy)propanamide
CID 119599208

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-ethoxyethoxy)propanoate?
The IUPAC name of methyl 2-(2-ethoxyethoxy)propanoate (CID 61234478) is methyl 2-(2-ethoxyethoxy)propanoate.
What is the SMILES notation for methyl 2-(2-ethoxyethoxy)propanoate?
The canonical SMILES for methyl 2-(2-ethoxyethoxy)propanoate is CCOCCOC(C)C(=O)OC.
What is the InChIKey of methyl 2-(2-ethoxyethoxy)propanoate?
The InChIKey is HSCCGDBWEWLVSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O4/c1-4-11-5-6-12-7(2)8(9)10-3/h7H,4-6H2,1-3H3.
What are the key properties of methyl 2-(2-ethoxyethoxy)propanoate?
methyl 2-(2-ethoxyethoxy)propanoate has a molecular weight of 176.21 g/mol, XLogP of 0.60, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-ethoxyethoxy)propanoate is sourced from PubChem (CID 61234478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).