diethyl 2-hydroxy-3-triethylsilylbutanedioate

C14H28O5Si — CID 11109497

IUPACdiethyl 2-hydroxy-3-triethylsilylbutanedioate
SMILESCCOC(=O)C(O)C(C(=O)OCC)[Si](CC)(CC)CC
InChIInChI=1S/C14H28O5Si/c1-6-18-13(16)11(15)12(14(17)19-7-2)20(8-3,9-4)10-5/h11-12,15H,6-10H2,1-5H3
InChIKeyYGHMUJOZCOFJBT-UHFFFAOYSA-N
MW304.46 g/mol
LogP2.35
Rot. Bonds9

About diethyl 2-hydroxy-3-triethylsilylbutanedioate

diethyl 2-hydroxy-3-triethylsilylbutanedioate (PubChem CID 11109497) has the molecular formula C14H28O5Si and a molecular weight of 304.46 g/mol. Its IUPAC name is diethyl 2-hydroxy-3-triethylsilylbutanedioate.

Molecular Properties

Compound Namediethyl 2-hydroxy-3-triethylsilylbutanedioate
PubChem CID11109497
Molecular FormulaC14H28O5Si
Molecular Weight304.46 g/mol
Exact Mass304.17
IUPAC Namediethyl 2-hydroxy-3-triethylsilylbutanedioate
SMILESCCOC(=O)C(O)C(C(=O)OCC)[Si](CC)(CC)CC
InChIInChI=1S/C14H28O5Si/c1-6-18-13(16)11(15)12(14(17)19-7-2)20(8-3,9-4)10-5/h11-12,15H,6-10H2,1-5H3
InChIKeyYGHMUJOZCOFJBT-UHFFFAOYSA-N
XLogP2.35
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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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
Dibutyl L-tartrate
CID 220014
Diethyl [S-(R*,R*)]-tartrate
CID 117410
Diisobutyl tartrate
CID 14609995
Methyl (S)-(-)-4-(tert-butyldimethylsilyloxy)-2-hydroxybutanoate
CID 16217854
D-(+)-Malic acid diethyl ester
CID 1715086

Frequently Asked Questions

What is the IUPAC name of diethyl 2-hydroxy-3-triethylsilylbutanedioate?
The IUPAC name of diethyl 2-hydroxy-3-triethylsilylbutanedioate (CID 11109497) is diethyl 2-hydroxy-3-triethylsilylbutanedioate.
What is the SMILES notation for diethyl 2-hydroxy-3-triethylsilylbutanedioate?
The canonical SMILES for diethyl 2-hydroxy-3-triethylsilylbutanedioate is CCOC(=O)C(O)C(C(=O)OCC)[Si](CC)(CC)CC.
What is the InChIKey of diethyl 2-hydroxy-3-triethylsilylbutanedioate?
The InChIKey is YGHMUJOZCOFJBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O5Si/c1-6-18-13(16)11(15)12(14(17)19-7-2)20(8-3,9-4)10-5/h11-12,15H,6-10H2,1-5H3.
What are the key properties of diethyl 2-hydroxy-3-triethylsilylbutanedioate?
diethyl 2-hydroxy-3-triethylsilylbutanedioate has a molecular weight of 304.46 g/mol, XLogP of 2.35, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-hydroxy-3-triethylsilylbutanedioate is sourced from PubChem (CID 11109497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).