benzyl 5-hydroxy-6-methyl-4-oxononanoate

C17H24O4 — CID 58262798

IUPACbenzyl 5-hydroxy-6-methyl-4-oxononanoate
SMILESCCCC(C)C(O)C(=O)CCC(=O)OCc1ccccc1
InChIInChI=1S/C17H24O4/c1-3-7-13(2)17(20)15(18)10-11-16(19)21-12-14-8-5-4-6-9-14/h4-6,8-9,13,17,20H,3,7,10-12H2,1-2H3
InChIKeyMKTQUPHSPSGMJF-UHFFFAOYSA-N
MW292.37 g/mol
LogP2.88
Rot. Bonds9

About benzyl 5-hydroxy-6-methyl-4-oxononanoate

benzyl 5-hydroxy-6-methyl-4-oxononanoate (PubChem CID 58262798) has the molecular formula C17H24O4 and a molecular weight of 292.37 g/mol. Its IUPAC name is benzyl 5-hydroxy-6-methyl-4-oxononanoate.

Molecular Properties

Compound Namebenzyl 5-hydroxy-6-methyl-4-oxononanoate
PubChem CID58262798
Molecular FormulaC17H24O4
Molecular Weight292.37 g/mol
Exact Mass292.17
IUPAC Namebenzyl 5-hydroxy-6-methyl-4-oxononanoate
SMILESCCCC(C)C(O)C(=O)CCC(=O)OCc1ccccc1
InChIInChI=1S/C17H24O4/c1-3-7-13(2)17(20)15(18)10-11-16(19)21-12-14-8-5-4-6-9-14/h4-6,8-9,13,17,20H,3,7,10-12H2,1-2H3
InChIKeyMKTQUPHSPSGMJF-UHFFFAOYSA-N
XLogP2.88
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.37
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze benzyl 5-hydroxy-6-methyl-4-oxononanoate 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

6-O-benzyl 1-O-ethyl 2-amino-3-oxohexanedioate
CID 67715090
benzyl 6-hydroxy-5-methylheptanoate
CID 163967493
benzyl 3,4-dimethylhexanoate
CID 123356915
benzyl 5-hydroxyhexanoate
CID 86132450
benzyl 4-oxoheptanoate
CID 172815327
benzyl 4-amino-5-oxooctanoate
CID 123170480
2-hydroxy-3-(2-oxo-2-phenylmethoxyethyl)hexanoic acid
CID 58331723
4-O-benzyl 1-O-octyl butanedioate
CID 528266
5-O-benzyl 1-O-ethyl (2R)-2-aminopentanedioate
CID 57177294
benzyl 6-hydroxydecanoate
CID 154601453
benzyl (4S)-4-fluoropentanoate
CID 162416936
benzyl (3S,4S)-3-hydroxy-4-methylhexanoate
CID 125473269

Frequently Asked Questions

What is the IUPAC name of benzyl 5-hydroxy-6-methyl-4-oxononanoate?
The IUPAC name of benzyl 5-hydroxy-6-methyl-4-oxononanoate (CID 58262798) is benzyl 5-hydroxy-6-methyl-4-oxononanoate.
What is the SMILES notation for benzyl 5-hydroxy-6-methyl-4-oxononanoate?
The canonical SMILES for benzyl 5-hydroxy-6-methyl-4-oxononanoate is CCCC(C)C(O)C(=O)CCC(=O)OCc1ccccc1.
What is the InChIKey of benzyl 5-hydroxy-6-methyl-4-oxononanoate?
The InChIKey is MKTQUPHSPSGMJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O4/c1-3-7-13(2)17(20)15(18)10-11-16(19)21-12-14-8-5-4-6-9-14/h4-6,8-9,13,17,20H,3,7,10-12H2,1-2H3.
What are the key properties of benzyl 5-hydroxy-6-methyl-4-oxononanoate?
benzyl 5-hydroxy-6-methyl-4-oxononanoate has a molecular weight of 292.37 g/mol, XLogP of 2.88, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 5-hydroxy-6-methyl-4-oxononanoate is sourced from PubChem (CID 58262798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).