diethyl 3-hydroxy-3-methylpentanedioate

C10H18O5 — CID 3018443

IUPACdiethyl 3-hydroxy-3-methylpentanedioate
SMILESCCOC(=O)CC(C)(O)CC(=O)OCC
InChIInChI=1S/C10H18O5/c1-4-14-8(11)6-10(3,13)7-9(12)15-5-2/h13H,4-7H2,1-3H3
InChIKeyRFTWLMJKXJXJSI-UHFFFAOYSA-N
MW218.25 g/mol
LogP0.64
Rot. Bonds6

About diethyl 3-hydroxy-3-methylpentanedioate

diethyl 3-hydroxy-3-methylpentanedioate (PubChem CID 3018443) has the molecular formula C10H18O5 and a molecular weight of 218.25 g/mol. Its IUPAC name is diethyl 3-hydroxy-3-methylpentanedioate.

Molecular Properties

Compound Namediethyl 3-hydroxy-3-methylpentanedioate
PubChem CID3018443
Molecular FormulaC10H18O5
Molecular Weight218.25 g/mol
Exact Mass218.12
IUPAC Namediethyl 3-hydroxy-3-methylpentanedioate
SMILESCCOC(=O)CC(C)(O)CC(=O)OCC
InChIInChI=1S/C10H18O5/c1-4-14-8(11)6-10(3,13)7-9(12)15-5-2/h13H,4-7H2,1-3H3
InChIKeyRFTWLMJKXJXJSI-UHFFFAOYSA-N
XLogP0.64
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 ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze diethyl 3-hydroxy-3-methylpentanedioate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of diethyl 3-hydroxy-3-methylpentanedioate?
The IUPAC name of diethyl 3-hydroxy-3-methylpentanedioate (CID 3018443) is diethyl 3-hydroxy-3-methylpentanedioate.
What is the SMILES notation for diethyl 3-hydroxy-3-methylpentanedioate?
The canonical SMILES for diethyl 3-hydroxy-3-methylpentanedioate is CCOC(=O)CC(C)(O)CC(=O)OCC.
What is the InChIKey of diethyl 3-hydroxy-3-methylpentanedioate?
The InChIKey is RFTWLMJKXJXJSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O5/c1-4-14-8(11)6-10(3,13)7-9(12)15-5-2/h13H,4-7H2,1-3H3.
What are the key properties of diethyl 3-hydroxy-3-methylpentanedioate?
diethyl 3-hydroxy-3-methylpentanedioate has a molecular weight of 218.25 g/mol, XLogP of 0.64, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 3-hydroxy-3-methylpentanedioate is sourced from PubChem (CID 3018443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).