5-O-ethyl 1-O-methyl 2-ethoxypentanedioate

C10H18O5 — CID 172723859

IUPAC5-O-ethyl 1-O-methyl 2-ethoxypentanedioate
SMILESCCOC(=O)CCC(OCC)C(=O)OC
InChIInChI=1S/C10H18O5/c1-4-14-8(10(12)13-3)6-7-9(11)15-5-2/h8H,4-7H2,1-3H3
InChIKeyGWMJGNZLIZZILP-UHFFFAOYSA-N
MW218.25 g/mol
LogP0.91
Rot. Bonds7

About 5-O-ethyl 1-O-methyl 2-ethoxypentanedioate

5-O-ethyl 1-O-methyl 2-ethoxypentanedioate (PubChem CID 172723859) has the molecular formula C10H18O5 and a molecular weight of 218.25 g/mol. Its IUPAC name is 5-O-ethyl 1-O-methyl 2-ethoxypentanedioate.

Molecular Properties

Compound Name5-O-ethyl 1-O-methyl 2-ethoxypentanedioate
PubChem CID172723859
Molecular FormulaC10H18O5
Molecular Weight218.25 g/mol
Exact Mass218.12
IUPAC Name5-O-ethyl 1-O-methyl 2-ethoxypentanedioate
SMILESCCOC(=O)CCC(OCC)C(=O)OC
InChIInChI=1S/C10H18O5/c1-4-14-8(10(12)13-3)6-7-9(11)15-5-2/h8H,4-7H2,1-3H3
InChIKeyGWMJGNZLIZZILP-UHFFFAOYSA-N
XLogP0.91
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-O-ethyl 1-O-methyl 2-ethoxypentanedioate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-O-ethyl 1-O-methyl 2-acetamidopentanedioate
CID 11345256
diethyl 4-(methylamino)heptanedioate
CID 88543894
4-O-ethyl 1-O-methyl butanedioate
CID 522068
diethyl (4R,5S)-4,5-diaminooctanedioate;dihydrochloride
CID 23545214
diethyl 4-iodoheptanedioate
CID 102577942
diethyl (2S)-2-methylpentanedioate
CID 89120789
diethyl 4-acetylheptanedioate
CID 15669145
ethyl 4-amino-5-fluoropentanoate
CID 13477556
ethyl 5-hydroxy-4-(methoxycarbonylamino)pentanoate
CID 71749117
(2R)-2-(tert-butylamino)-5-ethoxy-5-oxopentanoic acid
CID 154614545
diethyl 2-butoxyhexanedioate
CID 141161524
ethyl 4-methylperoxycarbonylhexanoate
CID 175394453

Frequently Asked Questions

What is the IUPAC name of 5-O-ethyl 1-O-methyl 2-ethoxypentanedioate?
The IUPAC name of 5-O-ethyl 1-O-methyl 2-ethoxypentanedioate (CID 172723859) is 5-O-ethyl 1-O-methyl 2-ethoxypentanedioate.
What is the SMILES notation for 5-O-ethyl 1-O-methyl 2-ethoxypentanedioate?
The canonical SMILES for 5-O-ethyl 1-O-methyl 2-ethoxypentanedioate is CCOC(=O)CCC(OCC)C(=O)OC.
What is the InChIKey of 5-O-ethyl 1-O-methyl 2-ethoxypentanedioate?
The InChIKey is GWMJGNZLIZZILP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O5/c1-4-14-8(10(12)13-3)6-7-9(11)15-5-2/h8H,4-7H2,1-3H3.
What are the key properties of 5-O-ethyl 1-O-methyl 2-ethoxypentanedioate?
5-O-ethyl 1-O-methyl 2-ethoxypentanedioate has a molecular weight of 218.25 g/mol, XLogP of 0.91, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-O-ethyl 1-O-methyl 2-ethoxypentanedioate is sourced from PubChem (CID 172723859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).