diethyl 2,3-dihydroxy-2,3-dimethylbutanedioate

C10H18O6 — CID 14110375

IUPACdiethyl 2,3-dihydroxy-2,3-dimethylbutanedioate
SMILESCCOC(=O)C(C)(O)C(C)(O)C(=O)OCC
InChIInChI=1S/C10H18O6/c1-5-15-7(11)9(3,13)10(4,14)8(12)16-6-2/h13-14H,5-6H2,1-4H3
InChIKeyHGQCPJKSEZGUAX-UHFFFAOYSA-N
MW234.25 g/mol
LogP-0.39
Rot. Bonds5

About diethyl 2,3-dihydroxy-2,3-dimethylbutanedioate

diethyl 2,3-dihydroxy-2,3-dimethylbutanedioate (PubChem CID 14110375) has the molecular formula C10H18O6 and a molecular weight of 234.25 g/mol. Its IUPAC name is diethyl 2,3-dihydroxy-2,3-dimethylbutanedioate.

Molecular Properties

Compound Namediethyl 2,3-dihydroxy-2,3-dimethylbutanedioate
PubChem CID14110375
Molecular FormulaC10H18O6
Molecular Weight234.25 g/mol
Exact Mass234.11
IUPAC Namediethyl 2,3-dihydroxy-2,3-dimethylbutanedioate
SMILESCCOC(=O)C(C)(O)C(C)(O)C(=O)OCC
InChIInChI=1S/C10H18O6/c1-5-15-7(11)9(3,13)10(4,14)8(12)16-6-2/h13-14H,5-6H2,1-4H3
InChIKeyHGQCPJKSEZGUAX-UHFFFAOYSA-N
XLogP-0.39
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

Butanedioic acid, 2-hydroxy-, 1,4-dibutyl ester
CID 95385
Diethyl malate
CID 24197
Diethyl tartrate
CID 6993580
Butanedioic acid, 2,3-dihydroxy-, diethyl ester, S-(R*,R*)-
CID 62333
Diisopropyl tartrate
CID 6453580
(+)-Dibutyl tartrate
CID 6910
Diisopropyl (S-(R*,R*))-tartrate
CID 112972
Diisoamyl Malate
CID 10308226
1,4-Dimethyl 2-hydroxy-2-methylbutanedioate
CID 519625
Dibutyl L-tartrate
CID 220014
Diethyl [S-(R*,R*)]-tartrate
CID 117410
Diisobutyl tartrate
CID 14609995

Frequently Asked Questions

What is the IUPAC name of diethyl 2,3-dihydroxy-2,3-dimethylbutanedioate?
The IUPAC name of diethyl 2,3-dihydroxy-2,3-dimethylbutanedioate (CID 14110375) is diethyl 2,3-dihydroxy-2,3-dimethylbutanedioate.
What is the SMILES notation for diethyl 2,3-dihydroxy-2,3-dimethylbutanedioate?
The canonical SMILES for diethyl 2,3-dihydroxy-2,3-dimethylbutanedioate is CCOC(=O)C(C)(O)C(C)(O)C(=O)OCC.
What is the InChIKey of diethyl 2,3-dihydroxy-2,3-dimethylbutanedioate?
The InChIKey is HGQCPJKSEZGUAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O6/c1-5-15-7(11)9(3,13)10(4,14)8(12)16-6-2/h13-14H,5-6H2,1-4H3.
What are the key properties of diethyl 2,3-dihydroxy-2,3-dimethylbutanedioate?
diethyl 2,3-dihydroxy-2,3-dimethylbutanedioate has a molecular weight of 234.25 g/mol, XLogP of -0.39, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2,3-dihydroxy-2,3-dimethylbutanedioate is sourced from PubChem (CID 14110375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).