4-O-(2-methoxyethyl) 1-O-(3-oxopropyl) butanedioate

C10H16O6 — CID 144983599

IUPAC4-O-(2-methoxyethyl) 1-O-(3-oxopropyl) butanedioate
SMILESCOCCOC(=O)CCC(=O)OCCC=O
InChIInChI=1S/C10H16O6/c1-14-7-8-16-10(13)4-3-9(12)15-6-2-5-11/h5H,2-4,6-8H2,1H3
InChIKeyYCZCVLNNXJHRCZ-UHFFFAOYSA-N
MW232.23 g/mol
LogP0.09
Rot. Bonds9

About 4-O-(2-methoxyethyl) 1-O-(3-oxopropyl) butanedioate

4-O-(2-methoxyethyl) 1-O-(3-oxopropyl) butanedioate (PubChem CID 144983599) has the molecular formula C10H16O6 and a molecular weight of 232.23 g/mol. Its IUPAC name is 4-O-(2-methoxyethyl) 1-O-(3-oxopropyl) butanedioate.

Molecular Properties

Compound Name4-O-(2-methoxyethyl) 1-O-(3-oxopropyl) butanedioate
PubChem CID144983599
Molecular FormulaC10H16O6
Molecular Weight232.23 g/mol
Exact Mass232.09
IUPAC Name4-O-(2-methoxyethyl) 1-O-(3-oxopropyl) butanedioate
SMILESCOCCOC(=O)CCC(=O)OCCC=O
InChIInChI=1S/C10H16O6/c1-14-7-8-16-10(13)4-3-9(12)15-6-2-5-11/h5H,2-4,6-8H2,1H3
InChIKeyYCZCVLNNXJHRCZ-UHFFFAOYSA-N
XLogP0.09
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.23
LogP ≤ 50.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-methoxyethyl 4-(methylamino)-4-oxobutanoate
CID 159443764
4-[2-[2-methoxyethyl(4-oxobutanoyl)amino]ethoxy]-4-oxobutanoic acid
CID 142491942
3-methoxypropanamide;3-oxopropyl acetate
CID 87408410
bis(2-methoxyethyl) octadec-9-enedioate
CID 123139794
2-methoxyethyl 4-oxopentanoate;tris(prop-1-ene)
CID 173476509
3-methoxypropanal;titanium
CID 87154259
2-methoxyethyl 5-methoxypentanoate
CID 58454735
bis(2-methoxyethyl) (E)-hex-2-enedioate
CID 122378069
2-methoxyethyl butanoate;tris(prop-1-ene)
CID 173481556
4-O-(2-methoxyethyl) 1-O-tetradecyl butanedioate
CID 91694095
4-oxo-4-[3-(4-oxobutanoyloxy)propoxy]butanoic acid
CID 58884340
azane;2-methoxyethyl undec-10-enoate
CID 174560084

Frequently Asked Questions

What is the IUPAC name of 4-O-(2-methoxyethyl) 1-O-(3-oxopropyl) butanedioate?
The IUPAC name of 4-O-(2-methoxyethyl) 1-O-(3-oxopropyl) butanedioate (CID 144983599) is 4-O-(2-methoxyethyl) 1-O-(3-oxopropyl) butanedioate.
What is the SMILES notation for 4-O-(2-methoxyethyl) 1-O-(3-oxopropyl) butanedioate?
The canonical SMILES for 4-O-(2-methoxyethyl) 1-O-(3-oxopropyl) butanedioate is COCCOC(=O)CCC(=O)OCCC=O.
What is the InChIKey of 4-O-(2-methoxyethyl) 1-O-(3-oxopropyl) butanedioate?
The InChIKey is YCZCVLNNXJHRCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O6/c1-14-7-8-16-10(13)4-3-9(12)15-6-2-5-11/h5H,2-4,6-8H2,1H3.
What are the key properties of 4-O-(2-methoxyethyl) 1-O-(3-oxopropyl) butanedioate?
4-O-(2-methoxyethyl) 1-O-(3-oxopropyl) butanedioate has a molecular weight of 232.23 g/mol, XLogP of 0.09, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-O-(2-methoxyethyl) 1-O-(3-oxopropyl) butanedioate is sourced from PubChem (CID 144983599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).