methyl 5-oxo-5-(2,4,6-trimethoxyphenyl)pentanoate

C15H20O6 — CID 69082969

IUPACmethyl 5-oxo-5-(2,4,6-trimethoxyphenyl)pentanoate
SMILESCOC(=O)CCCC(=O)c1c(OC)cc(OC)cc1OC
InChIInChI=1S/C15H20O6/c1-18-10-8-12(19-2)15(13(9-10)20-3)11(16)6-5-7-14(17)21-4/h8-9H,5-7H2,1-4H3
InChIKeyWGXOSLDTCWYDFN-UHFFFAOYSA-N
MW296.32 g/mol
LogP2.24
Rot. Bonds8

About methyl 5-oxo-5-(2,4,6-trimethoxyphenyl)pentanoate

methyl 5-oxo-5-(2,4,6-trimethoxyphenyl)pentanoate (PubChem CID 69082969) has the molecular formula C15H20O6 and a molecular weight of 296.32 g/mol. Its IUPAC name is methyl 5-oxo-5-(2,4,6-trimethoxyphenyl)pentanoate.

Molecular Properties

Compound Namemethyl 5-oxo-5-(2,4,6-trimethoxyphenyl)pentanoate
PubChem CID69082969
Molecular FormulaC15H20O6
Molecular Weight296.32 g/mol
Exact Mass296.13
IUPAC Namemethyl 5-oxo-5-(2,4,6-trimethoxyphenyl)pentanoate
SMILESCOC(=O)CCCC(=O)c1c(OC)cc(OC)cc1OC
InChIInChI=1S/C15H20O6/c1-18-10-8-12(19-2)15(13(9-10)20-3)11(16)6-5-7-14(17)21-4/h8-9H,5-7H2,1-4H3
InChIKeyWGXOSLDTCWYDFN-UHFFFAOYSA-N
XLogP2.24
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2,4,6-trimethoxyphenyl)dodecan-1-one
CID 11617254
methyl 3-(2,4,6-trimethoxyphenyl)propanoate
CID 25107739
9-O-[3,5-dimethoxy-2-[2-(4-methoxyphenyl)acetyl]phenyl] 1-O-methyl nonanedioate
CID 15840218
methyl 2-[3,5-dimethoxy-2-[3-(4-methoxyphenyl)propanoyl]phenoxy]acetate
CID 19744869
methyl 5-oxo-5-(2,4,6-trihydroxyphenyl)pentanoate
CID 96710201
2-methylsulfanyl-1-(2,4,6-trimethoxyphenyl)ethanone
CID 86045322
3,3-dimethyl-1-(2,4,6-trimethoxyphenyl)butan-1-one
CID 98033306
3-hydroxy-1-(2-hydroxy-4,6-dimethoxyphenyl)propan-1-one
CID 10955251
methyl 5-(4-bromo-2,6-dimethylphenyl)-5-oxopentanoate
CID 146011138
methyl 3-[(2,4,6-trimethoxyphenyl)methylamino]propanoate
CID 43344264
1-(2-bromo-4,6-dimethoxyphenyl)-3-chloropropan-1-one
CID 104645831
3-amino-1-(2,4,6-trimethoxyphenyl)butan-1-one
CID 116915625

Frequently Asked Questions

What is the IUPAC name of methyl 5-oxo-5-(2,4,6-trimethoxyphenyl)pentanoate?
The IUPAC name of methyl 5-oxo-5-(2,4,6-trimethoxyphenyl)pentanoate (CID 69082969) is methyl 5-oxo-5-(2,4,6-trimethoxyphenyl)pentanoate.
What is the SMILES notation for methyl 5-oxo-5-(2,4,6-trimethoxyphenyl)pentanoate?
The canonical SMILES for methyl 5-oxo-5-(2,4,6-trimethoxyphenyl)pentanoate is COC(=O)CCCC(=O)c1c(OC)cc(OC)cc1OC.
What is the InChIKey of methyl 5-oxo-5-(2,4,6-trimethoxyphenyl)pentanoate?
The InChIKey is WGXOSLDTCWYDFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O6/c1-18-10-8-12(19-2)15(13(9-10)20-3)11(16)6-5-7-14(17)21-4/h8-9H,5-7H2,1-4H3.
What are the key properties of methyl 5-oxo-5-(2,4,6-trimethoxyphenyl)pentanoate?
methyl 5-oxo-5-(2,4,6-trimethoxyphenyl)pentanoate has a molecular weight of 296.32 g/mol, XLogP of 2.24, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-oxo-5-(2,4,6-trimethoxyphenyl)pentanoate is sourced from PubChem (CID 69082969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).