diethyl 3-hydroxy-2-methylpentanedioate

C10H18O5 — CID 22022909

IUPACdiethyl 3-hydroxy-2-methylpentanedioate
SMILESCCOC(=O)CC(O)C(C)C(=O)OCC
InChIInChI=1S/C10H18O5/c1-4-14-9(12)6-8(11)7(3)10(13)15-5-2/h7-8,11H,4-6H2,1-3H3
InChIKeyDRXLVKJGNGLJHW-UHFFFAOYSA-N
MW218.25 g/mol
LogP0.50
Rot. Bonds6

About diethyl 3-hydroxy-2-methylpentanedioate

diethyl 3-hydroxy-2-methylpentanedioate (PubChem CID 22022909) has the molecular formula C10H18O5 and a molecular weight of 218.25 g/mol. Its IUPAC name is diethyl 3-hydroxy-2-methylpentanedioate.

Molecular Properties

Compound Namediethyl 3-hydroxy-2-methylpentanedioate
PubChem CID22022909
Molecular FormulaC10H18O5
Molecular Weight218.25 g/mol
Exact Mass218.12
IUPAC Namediethyl 3-hydroxy-2-methylpentanedioate
SMILESCCOC(=O)CC(O)C(C)C(=O)OCC
InChIInChI=1S/C10H18O5/c1-4-14-9(12)6-8(11)7(3)10(13)15-5-2/h7-8,11H,4-6H2,1-3H3
InChIKeyDRXLVKJGNGLJHW-UHFFFAOYSA-N
XLogP0.50
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-ethoxy-3-hydroxy-4-methyl-5-oxopentanoic acid
CID 87648093
ethyl (2S,3S)-3-hydroxy-2-methylpentanoate
CID 11051949
ethyl (4S)-3,4-dihydroxypentanoate
CID 156690497
ethyl 4-amino-3-hydroxy-5-methylhexanoate
CID 11424041
ethyl (2R,3S)-3-hydroxy-2-methylbutanoate
CID 642623
diethyl (2S,3S)-2-hydroxy-3-methylbutanedioate
CID 2192559
diethyl (2S,3R)-2-hydroxy-3-methylbutanedioate
CID 2192560
diethyl 2-ethyl-3-methylpentanedioate
CID 13403909
diethyl (2R,3R)-3-hydroxy-2-prop-2-ynylpentanedioate
CID 10466903
ethyl (2R,3S)-3-hydroxy-2-methyl-4-oxopentanoate
CID 58991559
ethyl 3-hydroxy-2,4-dimethylpentanoate
CID 13235184
ethyl (2R,3S)-3-hydroxy-2,4-dimethylpentanoate
CID 10965025

Frequently Asked Questions

What is the IUPAC name of diethyl 3-hydroxy-2-methylpentanedioate?
The IUPAC name of diethyl 3-hydroxy-2-methylpentanedioate (CID 22022909) is diethyl 3-hydroxy-2-methylpentanedioate.
What is the SMILES notation for diethyl 3-hydroxy-2-methylpentanedioate?
The canonical SMILES for diethyl 3-hydroxy-2-methylpentanedioate is CCOC(=O)CC(O)C(C)C(=O)OCC.
What is the InChIKey of diethyl 3-hydroxy-2-methylpentanedioate?
The InChIKey is DRXLVKJGNGLJHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O5/c1-4-14-9(12)6-8(11)7(3)10(13)15-5-2/h7-8,11H,4-6H2,1-3H3.
What are the key properties of diethyl 3-hydroxy-2-methylpentanedioate?
diethyl 3-hydroxy-2-methylpentanedioate has a molecular weight of 218.25 g/mol, XLogP of 0.50, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 3-hydroxy-2-methylpentanedioate is sourced from PubChem (CID 22022909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).