diethyl 2,2,3,3-tetrahydroxybutanedioate

C8H14O8 — CID 11264895

IUPACdiethyl 2,2,3,3-tetrahydroxybutanedioate
SMILESCCOC(=O)C(O)(O)C(O)(O)C(=O)OCC
InChIInChI=1S/C8H14O8/c1-3-15-5(9)7(11,12)8(13,14)6(10)16-4-2/h11-14H,3-4H2,1-2H3
InChIKeyWNWJIVGBLYKDNI-UHFFFAOYSA-N
MW238.19 g/mol
LogP-2.53
Rot. Bonds5

About diethyl 2,2,3,3-tetrahydroxybutanedioate

diethyl 2,2,3,3-tetrahydroxybutanedioate (PubChem CID 11264895) has the molecular formula C8H14O8 and a molecular weight of 238.19 g/mol. Its IUPAC name is diethyl 2,2,3,3-tetrahydroxybutanedioate.

Molecular Properties

Compound Namediethyl 2,2,3,3-tetrahydroxybutanedioate
PubChem CID11264895
Molecular FormulaC8H14O8
Molecular Weight238.19 g/mol
Exact Mass238.07
IUPAC Namediethyl 2,2,3,3-tetrahydroxybutanedioate
SMILESCCOC(=O)C(O)(O)C(O)(O)C(=O)OCC
InChIInChI=1S/C8H14O8/c1-3-15-5(9)7(11,12)8(13,14)6(10)16-4-2/h11-14H,3-4H2,1-2H3
InChIKeyWNWJIVGBLYKDNI-UHFFFAOYSA-N
XLogP-2.53
TPSA133.52 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.19
LogP ≤ 5-2.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

ethyl 3,3,3-trifluoro-2,2-dihydroxypropanoate
CID 154013298
ethyl (2R)-2-hydroxy-2-methyl-3-oxobutanoate
CID 101013682
ethyl 2,2-dimethylpropanoate;hydrochloride
CID 141019550
ethyl 2,2-dibromo-3-oxobutanoate
CID 11231534
triethyl 2-hydroxypropane-1,2,3-tricarboxylate
CID 6506
diethyl (2R)-2-hydroxy-2-methylbutanedioate
CID 12732542
ethyl 3,3,3-tribromo-2-hydroxy-2-methylpropanoate
CID 14848524
ethyl (2S)-2-bromo-2-methyl-3-oxobutanoate
CID 101364312
ethyl 2-acetyl-4-oxo-2-(2-oxopropyl)pentanoate
CID 13025253
ethane;ethyl 2-bromo-2-methylpropanoate
CID 142239978
ethyl 2,2-bis(sulfanyl)propanoate
CID 88516276
diethyl 2,2-ditert-butylpropanedioate
CID 141391919

Frequently Asked Questions

What is the IUPAC name of diethyl 2,2,3,3-tetrahydroxybutanedioate?
The IUPAC name of diethyl 2,2,3,3-tetrahydroxybutanedioate (CID 11264895) is diethyl 2,2,3,3-tetrahydroxybutanedioate.
What is the SMILES notation for diethyl 2,2,3,3-tetrahydroxybutanedioate?
The canonical SMILES for diethyl 2,2,3,3-tetrahydroxybutanedioate is CCOC(=O)C(O)(O)C(O)(O)C(=O)OCC.
What is the InChIKey of diethyl 2,2,3,3-tetrahydroxybutanedioate?
The InChIKey is WNWJIVGBLYKDNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O8/c1-3-15-5(9)7(11,12)8(13,14)6(10)16-4-2/h11-14H,3-4H2,1-2H3.
What are the key properties of diethyl 2,2,3,3-tetrahydroxybutanedioate?
diethyl 2,2,3,3-tetrahydroxybutanedioate has a molecular weight of 238.19 g/mol, XLogP of -2.53, 5 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2,2,3,3-tetrahydroxybutanedioate is sourced from PubChem (CID 11264895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).