methyl 4-oxo-2,3-di(propan-2-yl)octanoate

C15H28O3 — CID 142729967

IUPACmethyl 4-oxo-2,3-di(propan-2-yl)octanoate
SMILESCCCCC(=O)C(C(C)C)C(C(=O)OC)C(C)C
InChIInChI=1S/C15H28O3/c1-7-8-9-12(16)13(10(2)3)14(11(4)5)15(17)18-6/h10-11,13-14H,7-9H2,1-6H3
InChIKeyGYVZEMFIYSXNCQ-UHFFFAOYSA-N
MW256.39 g/mol
LogP3.46
Rot. Bonds8

About methyl 4-oxo-2,3-di(propan-2-yl)octanoate

methyl 4-oxo-2,3-di(propan-2-yl)octanoate (PubChem CID 142729967) has the molecular formula C15H28O3 and a molecular weight of 256.39 g/mol. Its IUPAC name is methyl 4-oxo-2,3-di(propan-2-yl)octanoate.

Molecular Properties

Compound Namemethyl 4-oxo-2,3-di(propan-2-yl)octanoate
PubChem CID142729967
Molecular FormulaC15H28O3
Molecular Weight256.39 g/mol
Exact Mass256.20
IUPAC Namemethyl 4-oxo-2,3-di(propan-2-yl)octanoate
SMILESCCCCC(=O)C(C(C)C)C(C(=O)OC)C(C)C
InChIInChI=1S/C15H28O3/c1-7-8-9-12(16)13(10(2)3)14(11(4)5)15(17)18-6/h10-11,13-14H,7-9H2,1-6H3
InChIKeyGYVZEMFIYSXNCQ-UHFFFAOYSA-N
XLogP3.46
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl 4-oxo-2,3-di(propan-2-yl)octanoate 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 4-oxo-2,3-di(propan-2-yl)octanoate?
The IUPAC name of methyl 4-oxo-2,3-di(propan-2-yl)octanoate (CID 142729967) is methyl 4-oxo-2,3-di(propan-2-yl)octanoate.
What is the SMILES notation for methyl 4-oxo-2,3-di(propan-2-yl)octanoate?
The canonical SMILES for methyl 4-oxo-2,3-di(propan-2-yl)octanoate is CCCCC(=O)C(C(C)C)C(C(=O)OC)C(C)C.
What is the InChIKey of methyl 4-oxo-2,3-di(propan-2-yl)octanoate?
The InChIKey is GYVZEMFIYSXNCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O3/c1-7-8-9-12(16)13(10(2)3)14(11(4)5)15(17)18-6/h10-11,13-14H,7-9H2,1-6H3.
What are the key properties of methyl 4-oxo-2,3-di(propan-2-yl)octanoate?
methyl 4-oxo-2,3-di(propan-2-yl)octanoate has a molecular weight of 256.39 g/mol, XLogP of 3.46, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-oxo-2,3-di(propan-2-yl)octanoate is sourced from PubChem (CID 142729967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).