diethyl 2-hydroxy-4-methylpentanedioate

C10H18O5 — CID 14667297

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

About diethyl 2-hydroxy-4-methylpentanedioate

diethyl 2-hydroxy-4-methylpentanedioate (PubChem CID 14667297) has the molecular formula C10H18O5 and a molecular weight of 218.25 g/mol. Its IUPAC name is diethyl 2-hydroxy-4-methylpentanedioate.

Molecular Properties

Compound Namediethyl 2-hydroxy-4-methylpentanedioate
PubChem CID14667297
Molecular FormulaC10H18O5
Molecular Weight218.25 g/mol
Exact Mass218.12
IUPAC Namediethyl 2-hydroxy-4-methylpentanedioate
SMILESCCOC(=O)C(C)CC(O)C(=O)OCC
InChIInChI=1S/C10H18O5/c1-4-14-9(12)7(3)6-8(11)10(13)15-5-2/h7-8,11H,4-6H2,1-3H3
InChIKeyVAHWCBOYFKRVKR-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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Frequently Asked Questions

What is the IUPAC name of diethyl 2-hydroxy-4-methylpentanedioate?
The IUPAC name of diethyl 2-hydroxy-4-methylpentanedioate (CID 14667297) is diethyl 2-hydroxy-4-methylpentanedioate.
What is the SMILES notation for diethyl 2-hydroxy-4-methylpentanedioate?
The canonical SMILES for diethyl 2-hydroxy-4-methylpentanedioate is CCOC(=O)C(C)CC(O)C(=O)OCC.
What is the InChIKey of diethyl 2-hydroxy-4-methylpentanedioate?
The InChIKey is VAHWCBOYFKRVKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O5/c1-4-14-9(12)7(3)6-8(11)10(13)15-5-2/h7-8,11H,4-6H2,1-3H3.
What are the key properties of diethyl 2-hydroxy-4-methylpentanedioate?
diethyl 2-hydroxy-4-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 2-hydroxy-4-methylpentanedioate is sourced from PubChem (CID 14667297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).