ethyl 3-(2-methoxyethoxy)-2-methylpropanoate

C9H18O4 — CID 114997793

IUPACethyl 3-(2-methoxyethoxy)-2-methylpropanoate
SMILESCCOC(=O)C(C)COCCOC
InChIInChI=1S/C9H18O4/c1-4-13-9(10)8(2)7-12-6-5-11-3/h8H,4-7H2,1-3H3
InChIKeyLUKXBKGTUVYOKR-UHFFFAOYSA-N
MW190.24 g/mol
LogP0.85
Rot. Bonds7

About ethyl 3-(2-methoxyethoxy)-2-methylpropanoate

ethyl 3-(2-methoxyethoxy)-2-methylpropanoate (PubChem CID 114997793) has the molecular formula C9H18O4 and a molecular weight of 190.24 g/mol. Its IUPAC name is ethyl 3-(2-methoxyethoxy)-2-methylpropanoate.

Molecular Properties

Compound Nameethyl 3-(2-methoxyethoxy)-2-methylpropanoate
PubChem CID114997793
Molecular FormulaC9H18O4
Molecular Weight190.24 g/mol
Exact Mass190.12
IUPAC Nameethyl 3-(2-methoxyethoxy)-2-methylpropanoate
SMILESCCOC(=O)C(C)COCCOC
InChIInChI=1S/C9H18O4/c1-4-13-9(10)8(2)7-12-6-5-11-3/h8H,4-7H2,1-3H3
InChIKeyLUKXBKGTUVYOKR-UHFFFAOYSA-N
XLogP0.85
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 50.85
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

ethyl 3-(2-butoxyethoxy)-2-methylpropanoate
CID 115002806
ethyl 3-[2-(2-methoxyethoxy)ethoxy]-2-(propan-2-ylamino)propanoate
CID 113427286
propyl 2-methyl-3-propoxypropanoate
CID 54511577
(2S)-3-[2-(2-methoxyethoxy)ethoxy]-2-methylpropanoic acid
CID 87267502
methyl (2R)-3-butoxy-2-methylpropanoate
CID 88918019
ethyl 3-[2-(3-methoxypropoxy)ethoxy]-2-(propylamino)propanoate
CID 103180054
(2S)-3-[2-(2-methoxyethoxy)ethoxy]-2-methylpropanoate
CID 140579321
ethyl 3-methoxy-2-methylpropanoate;toluene
CID 175465833
ethyl 3-dimethylphosphoryloxy-2-methylpropanoate
CID 89491834
ethyl (2S)-2-amino-3-methoxypropanoate
CID 55285113
ethyl 3-butanoyloxy-2-methylpropanoate
CID 174484909
ethyl 3-(3-methoxypropylsulfanyl)-2-methylpropanoate
CID 63856088

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2-methoxyethoxy)-2-methylpropanoate?
The IUPAC name of ethyl 3-(2-methoxyethoxy)-2-methylpropanoate (CID 114997793) is ethyl 3-(2-methoxyethoxy)-2-methylpropanoate.
What is the SMILES notation for ethyl 3-(2-methoxyethoxy)-2-methylpropanoate?
The canonical SMILES for ethyl 3-(2-methoxyethoxy)-2-methylpropanoate is CCOC(=O)C(C)COCCOC.
What is the InChIKey of ethyl 3-(2-methoxyethoxy)-2-methylpropanoate?
The InChIKey is LUKXBKGTUVYOKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O4/c1-4-13-9(10)8(2)7-12-6-5-11-3/h8H,4-7H2,1-3H3.
What are the key properties of ethyl 3-(2-methoxyethoxy)-2-methylpropanoate?
ethyl 3-(2-methoxyethoxy)-2-methylpropanoate has a molecular weight of 190.24 g/mol, XLogP of 0.85, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2-methoxyethoxy)-2-methylpropanoate is sourced from PubChem (CID 114997793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).