propan-2-yl 6-acetyl-7-methyl-4-oxooctanoate

C14H24O4 — CID 58129571

IUPACpropan-2-yl 6-acetyl-7-methyl-4-oxooctanoate
SMILESCC(=O)C(CC(=O)CCC(=O)OC(C)C)C(C)C
InChIInChI=1S/C14H24O4/c1-9(2)13(11(5)15)8-12(16)6-7-14(17)18-10(3)4/h9-10,13H,6-8H2,1-5H3
InChIKeyOYPYOWJJEIDSJL-UHFFFAOYSA-N
MW256.34 g/mol
LogP2.54
Rot. Bonds8

About propan-2-yl 6-acetyl-7-methyl-4-oxooctanoate

propan-2-yl 6-acetyl-7-methyl-4-oxooctanoate (PubChem CID 58129571) has the molecular formula C14H24O4 and a molecular weight of 256.34 g/mol. Its IUPAC name is propan-2-yl 6-acetyl-7-methyl-4-oxooctanoate.

Molecular Properties

Compound Namepropan-2-yl 6-acetyl-7-methyl-4-oxooctanoate
PubChem CID58129571
Molecular FormulaC14H24O4
Molecular Weight256.34 g/mol
Exact Mass256.17
IUPAC Namepropan-2-yl 6-acetyl-7-methyl-4-oxooctanoate
SMILESCC(=O)C(CC(=O)CCC(=O)OC(C)C)C(C)C
InChIInChI=1S/C14H24O4/c1-9(2)13(11(5)15)8-12(16)6-7-14(17)18-10(3)4/h9-10,13H,6-8H2,1-5H3
InChIKeyOYPYOWJJEIDSJL-UHFFFAOYSA-N
XLogP2.54
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze propan-2-yl 6-acetyl-7-methyl-4-oxooctanoate 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 propan-2-yl 6-acetyl-7-methyl-4-oxooctanoate?
The IUPAC name of propan-2-yl 6-acetyl-7-methyl-4-oxooctanoate (CID 58129571) is propan-2-yl 6-acetyl-7-methyl-4-oxooctanoate.
What is the SMILES notation for propan-2-yl 6-acetyl-7-methyl-4-oxooctanoate?
The canonical SMILES for propan-2-yl 6-acetyl-7-methyl-4-oxooctanoate is CC(=O)C(CC(=O)CCC(=O)OC(C)C)C(C)C.
What is the InChIKey of propan-2-yl 6-acetyl-7-methyl-4-oxooctanoate?
The InChIKey is OYPYOWJJEIDSJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O4/c1-9(2)13(11(5)15)8-12(16)6-7-14(17)18-10(3)4/h9-10,13H,6-8H2,1-5H3.
What are the key properties of propan-2-yl 6-acetyl-7-methyl-4-oxooctanoate?
propan-2-yl 6-acetyl-7-methyl-4-oxooctanoate has a molecular weight of 256.34 g/mol, XLogP of 2.54, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 6-acetyl-7-methyl-4-oxooctanoate is sourced from PubChem (CID 58129571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).