methyl 5-ethyl-2-hydroxy-4-oxoheptanoate

C10H18O4 — CID 19688722

IUPACmethyl 5-ethyl-2-hydroxy-4-oxoheptanoate
SMILESCCC(CC)C(=O)CC(O)C(=O)OC
InChIInChI=1S/C10H18O4/c1-4-7(5-2)8(11)6-9(12)10(13)14-3/h7,9,12H,4-6H2,1-3H3
InChIKeyQRQFZSYEHOMSGD-UHFFFAOYSA-N
MW202.25 g/mol
LogP0.92
Rot. Bonds6

About methyl 5-ethyl-2-hydroxy-4-oxoheptanoate

methyl 5-ethyl-2-hydroxy-4-oxoheptanoate (PubChem CID 19688722) has the molecular formula C10H18O4 and a molecular weight of 202.25 g/mol. Its IUPAC name is methyl 5-ethyl-2-hydroxy-4-oxoheptanoate.

Molecular Properties

Compound Namemethyl 5-ethyl-2-hydroxy-4-oxoheptanoate
PubChem CID19688722
Molecular FormulaC10H18O4
Molecular Weight202.25 g/mol
Exact Mass202.12
IUPAC Namemethyl 5-ethyl-2-hydroxy-4-oxoheptanoate
SMILESCCC(CC)C(=O)CC(O)C(=O)OC
InChIInChI=1S/C10H18O4/c1-4-7(5-2)8(11)6-9(12)10(13)14-3/h7,9,12H,4-6H2,1-3H3
InChIKeyQRQFZSYEHOMSGD-UHFFFAOYSA-N
XLogP0.92
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (5R)-5-amino-2-hydroxy-4-oxohexanoate
CID 174417154
methyl (2S,3R)-2-hydroxy-3-methylpentanoate
CID 13262415
methyl 2-hydroxypentanoate
CID 543619
methyl (2R,3R)-2-hydroxy-3-methylpentanoate
CID 13262413
methyl 4-chloro-2-ethyl-4-oxobutanoate
CID 21338185
trimethyl hexane-1,2,4-tricarboxylate
CID 58784992
methyl 2-(cyanomethyl)butanoate
CID 15312095
methanol;methyl 2,3-dihydroxypropanoate
CID 174804143
methyl (2S)-2-hydroxy-5,5-dimethyl-4-oxohexanoate
CID 155654768
methyl 2-hydroxy-3-(methylamino)propanoate
CID 86646378
methyl (2S)-2-hydroxyheptanoate
CID 71444954
dimethyl (2R)-2-hydroxy-4-methylidenepentanedioate
CID 88938742

Frequently Asked Questions

What is the IUPAC name of methyl 5-ethyl-2-hydroxy-4-oxoheptanoate?
The IUPAC name of methyl 5-ethyl-2-hydroxy-4-oxoheptanoate (CID 19688722) is methyl 5-ethyl-2-hydroxy-4-oxoheptanoate.
What is the SMILES notation for methyl 5-ethyl-2-hydroxy-4-oxoheptanoate?
The canonical SMILES for methyl 5-ethyl-2-hydroxy-4-oxoheptanoate is CCC(CC)C(=O)CC(O)C(=O)OC.
What is the InChIKey of methyl 5-ethyl-2-hydroxy-4-oxoheptanoate?
The InChIKey is QRQFZSYEHOMSGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O4/c1-4-7(5-2)8(11)6-9(12)10(13)14-3/h7,9,12H,4-6H2,1-3H3.
What are the key properties of methyl 5-ethyl-2-hydroxy-4-oxoheptanoate?
methyl 5-ethyl-2-hydroxy-4-oxoheptanoate has a molecular weight of 202.25 g/mol, XLogP of 0.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-ethyl-2-hydroxy-4-oxoheptanoate is sourced from PubChem (CID 19688722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).