5-(1,2-dihydroxyethyl)-4-(3-ethoxy-2-hydroxypropoxy)oxolane-2,3-dione

C11H18O8 — CID 123865037

IUPAC5-(1,2-dihydroxyethyl)-4-(3-ethoxy-2-hydroxypropoxy)oxolane-2,3-dione
SMILESCCOCC(O)COC1C(=O)C(=O)OC1C(O)CO
InChIInChI=1S/C11H18O8/c1-2-17-4-6(13)5-18-10-8(15)11(16)19-9(10)7(14)3-12/h6-7,9-10,12-14H,2-5H2,1H3
InChIKeyXHMSDBFWKSLHBF-UHFFFAOYSA-N
MW278.26 g/mol
LogP-2.38
Rot. Bonds8

About 5-(1,2-dihydroxyethyl)-4-(3-ethoxy-2-hydroxypropoxy)oxolane-2,3-dione

5-(1,2-dihydroxyethyl)-4-(3-ethoxy-2-hydroxypropoxy)oxolane-2,3-dione (PubChem CID 123865037) has the molecular formula C11H18O8 and a molecular weight of 278.26 g/mol. Its IUPAC name is 5-(1,2-dihydroxyethyl)-4-(3-ethoxy-2-hydroxypropoxy)oxolane-2,3-dione.

Molecular Properties

Compound Name5-(1,2-dihydroxyethyl)-4-(3-ethoxy-2-hydroxypropoxy)oxolane-2,3-dione
PubChem CID123865037
Molecular FormulaC11H18O8
Molecular Weight278.26 g/mol
Exact Mass278.10
IUPAC Name5-(1,2-dihydroxyethyl)-4-(3-ethoxy-2-hydroxypropoxy)oxolane-2,3-dione
SMILESCCOCC(O)COC1C(=O)C(=O)OC1C(O)CO
InChIInChI=1S/C11H18O8/c1-2-17-4-6(13)5-18-10-8(15)11(16)19-9(10)7(14)3-12/h6-7,9-10,12-14H,2-5H2,1H3
InChIKeyXHMSDBFWKSLHBF-UHFFFAOYSA-N
XLogP-2.38
TPSA122.52 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.26
LogP ≤ 5-2.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

(5R)-5-[(1S)-1,2-dihydroxyethyl]-4-(3-dodecoxy-2-hydroxypropoxy)oxolane-2,3-dione
CID 91383268
(5R)-5-[(1S)-1,2-dihydroxyethyl]-4-(2-hydroxy-3-prop-2-enoxypropoxy)oxolane-2,3-dione
CID 91363603
(5R)-5-[(1S)-1,2-dihydroxyethyl]-4-(3-ethenoxy-2-hydroxypropoxy)oxolane-2,3-dione
CID 91387421
[(2R)-2-[(1S)-1,2-dihydroxyethyl]-4,5-dioxooxolan-3-yl] propanoate
CID 54208151
(5R)-5-[(1S)-1,2-dihydroxyethyl]-4-(1,3-dihydroxy-3-methylpentoxy)oxolane-2,3-dione
CID 90799333
bis[(2R)-2-[(1S)-1,2-dihydroxyethyl]-4,5-dioxooxolan-3-yl] hydrogen phosphate
CID 54319109
[(2R)-2-[(1S)-1,2-dihydroxyethyl]-4,5-dioxooxolan-3-yl] 2,3-dihydroxypropyl hydrogen phosphate
CID 90972691
[(2R)-2-[(1R)-1,2-dihydroxyethyl]-4,5-dioxooxolan-3-yl] (2R,3R)-2,3,4-trihydroxybutanoate
CID 54419445
(5R)-5-[(1S)-1,2-dihydroxyethyl]-4-[3-hydroxy-1-(2-hydroxypropoxy)-2-octoxypropoxy]oxolane-2,3-dione
CID 90792660
sodium;3-ethoxypropane-1,2-diol;hydride
CID 173234204
[(2R)-2-[(1S)-1,2-dihydroxyethyl]-4,5-dioxooxolan-3-yl] 6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxylate
CID 90720159
4-hydroxy-5-(1-hydroxypropyl)oxolane-2,3-dione
CID 91235540

Frequently Asked Questions

What is the IUPAC name of 5-(1,2-dihydroxyethyl)-4-(3-ethoxy-2-hydroxypropoxy)oxolane-2,3-dione?
The IUPAC name of 5-(1,2-dihydroxyethyl)-4-(3-ethoxy-2-hydroxypropoxy)oxolane-2,3-dione (CID 123865037) is 5-(1,2-dihydroxyethyl)-4-(3-ethoxy-2-hydroxypropoxy)oxolane-2,3-dione.
What is the SMILES notation for 5-(1,2-dihydroxyethyl)-4-(3-ethoxy-2-hydroxypropoxy)oxolane-2,3-dione?
The canonical SMILES for 5-(1,2-dihydroxyethyl)-4-(3-ethoxy-2-hydroxypropoxy)oxolane-2,3-dione is CCOCC(O)COC1C(=O)C(=O)OC1C(O)CO.
What is the InChIKey of 5-(1,2-dihydroxyethyl)-4-(3-ethoxy-2-hydroxypropoxy)oxolane-2,3-dione?
The InChIKey is XHMSDBFWKSLHBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O8/c1-2-17-4-6(13)5-18-10-8(15)11(16)19-9(10)7(14)3-12/h6-7,9-10,12-14H,2-5H2,1H3.
What are the key properties of 5-(1,2-dihydroxyethyl)-4-(3-ethoxy-2-hydroxypropoxy)oxolane-2,3-dione?
5-(1,2-dihydroxyethyl)-4-(3-ethoxy-2-hydroxypropoxy)oxolane-2,3-dione has a molecular weight of 278.26 g/mol, XLogP of -2.38, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,2-dihydroxyethyl)-4-(3-ethoxy-2-hydroxypropoxy)oxolane-2,3-dione is sourced from PubChem (CID 123865037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).