methyl 2,2-diethyl-5-hydroxypentanoate

C10H20O3 — CID 18784902

IUPACmethyl 2,2-diethyl-5-hydroxypentanoate
SMILESCCC(CC)(CCCO)C(=O)OC
InChIInChI=1S/C10H20O3/c1-4-10(5-2,7-6-8-11)9(12)13-3/h11H,4-8H2,1-3H3
InChIKeyXQWLBGXGZVAIRS-UHFFFAOYSA-N
MW188.27 g/mol
LogP1.74
Rot. Bonds6

About methyl 2,2-diethyl-5-hydroxypentanoate

methyl 2,2-diethyl-5-hydroxypentanoate (PubChem CID 18784902) has the molecular formula C10H20O3 and a molecular weight of 188.27 g/mol. Its IUPAC name is methyl 2,2-diethyl-5-hydroxypentanoate.

Molecular Properties

Compound Namemethyl 2,2-diethyl-5-hydroxypentanoate
PubChem CID18784902
Molecular FormulaC10H20O3
Molecular Weight188.27 g/mol
Exact Mass188.14
IUPAC Namemethyl 2,2-diethyl-5-hydroxypentanoate
SMILESCCC(CC)(CCCO)C(=O)OC
InChIInChI=1S/C10H20O3/c1-4-10(5-2,7-6-8-11)9(12)13-3/h11H,4-8H2,1-3H3
InChIKeyXQWLBGXGZVAIRS-UHFFFAOYSA-N
XLogP1.74
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 2,2-diethyl-5-hydroxypentanoate 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 methyl 2,2-diethyl-5-hydroxypentanoate?
The IUPAC name of methyl 2,2-diethyl-5-hydroxypentanoate (CID 18784902) is methyl 2,2-diethyl-5-hydroxypentanoate.
What is the SMILES notation for methyl 2,2-diethyl-5-hydroxypentanoate?
The canonical SMILES for methyl 2,2-diethyl-5-hydroxypentanoate is CCC(CC)(CCCO)C(=O)OC.
What is the InChIKey of methyl 2,2-diethyl-5-hydroxypentanoate?
The InChIKey is XQWLBGXGZVAIRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O3/c1-4-10(5-2,7-6-8-11)9(12)13-3/h11H,4-8H2,1-3H3.
What are the key properties of methyl 2,2-diethyl-5-hydroxypentanoate?
methyl 2,2-diethyl-5-hydroxypentanoate has a molecular weight of 188.27 g/mol, XLogP of 1.74, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,2-diethyl-5-hydroxypentanoate is sourced from PubChem (CID 18784902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).