propan-2-yl 2,3-dimethyl-4-oxopentanoate

C10H18O3 — CID 142729919

IUPACpropan-2-yl 2,3-dimethyl-4-oxopentanoate
SMILESCC(=O)C(C)C(C)C(=O)OC(C)C
InChIInChI=1S/C10H18O3/c1-6(2)13-10(12)8(4)7(3)9(5)11/h6-8H,1-5H3
InChIKeyYDDCGUMAJHGCAD-UHFFFAOYSA-N
MW186.25 g/mol
LogP1.80
Rot. Bonds4

About propan-2-yl 2,3-dimethyl-4-oxopentanoate

propan-2-yl 2,3-dimethyl-4-oxopentanoate (PubChem CID 142729919) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is propan-2-yl 2,3-dimethyl-4-oxopentanoate.

Molecular Properties

Compound Namepropan-2-yl 2,3-dimethyl-4-oxopentanoate
PubChem CID142729919
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Namepropan-2-yl 2,3-dimethyl-4-oxopentanoate
SMILESCC(=O)C(C)C(C)C(=O)OC(C)C
InChIInChI=1S/C10H18O3/c1-6(2)13-10(12)8(4)7(3)9(5)11/h6-8H,1-5H3
InChIKeyYDDCGUMAJHGCAD-UHFFFAOYSA-N
XLogP1.80
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze propan-2-yl 2,3-dimethyl-4-oxopentanoate with MolForge

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

Launch Full Analysis

Related Compounds

propan-2-yl (2R)-3-amino-2-methylbutanoate
CID 154999103
CID 172758325
CID 172758325
propan-2-yl (2S)-2-aminopropanoate
CID 13089460
(2R,3S)-2,3-dimethyl-4-oxopentanoyl chloride
CID 59966125
dipropan-2-yl 2-aminopropanedioate
CID 141226348
propan-2-yl 2-aminopropanoate
CID 11804791
alumane;propan-2-yl 3-oxo-2-propan-2-yloxybutanoate
CID 174502604
2,3-dimethyl-4-oxopentanoic acid
CID 15560603
propan-2-yl acetate;hydrochloride
CID 87336432
propan-2-yl (2R)-2-acetamidopropanoate
CID 165357542
propan-2-yl (2S)-2-hydroxy-3-methylbutanoate
CID 87171690
propan-2-yl (2S,3S)-2-amino-3-hydroxybutanoate
CID 93251792

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2,3-dimethyl-4-oxopentanoate?
The IUPAC name of propan-2-yl 2,3-dimethyl-4-oxopentanoate (CID 142729919) is propan-2-yl 2,3-dimethyl-4-oxopentanoate.
What is the SMILES notation for propan-2-yl 2,3-dimethyl-4-oxopentanoate?
The canonical SMILES for propan-2-yl 2,3-dimethyl-4-oxopentanoate is CC(=O)C(C)C(C)C(=O)OC(C)C.
What is the InChIKey of propan-2-yl 2,3-dimethyl-4-oxopentanoate?
The InChIKey is YDDCGUMAJHGCAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c1-6(2)13-10(12)8(4)7(3)9(5)11/h6-8H,1-5H3.
What are the key properties of propan-2-yl 2,3-dimethyl-4-oxopentanoate?
propan-2-yl 2,3-dimethyl-4-oxopentanoate has a molecular weight of 186.25 g/mol, XLogP of 1.80, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2,3-dimethyl-4-oxopentanoate is sourced from PubChem (CID 142729919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).