methyl 3-hydroxy-5-oxononanoate

C10H18O4 — CID 101496570

IUPACmethyl 3-hydroxy-5-oxononanoate
SMILESCCCCC(=O)CC(O)CC(=O)OC
InChIInChI=1S/C10H18O4/c1-3-4-5-8(11)6-9(12)7-10(13)14-2/h9,12H,3-7H2,1-2H3
InChIKeyJSZPLGCOCUUFAP-UHFFFAOYSA-N
MW202.25 g/mol
LogP1.06
Rot. Bonds7

About methyl 3-hydroxy-5-oxononanoate

methyl 3-hydroxy-5-oxononanoate (PubChem CID 101496570) has the molecular formula C10H18O4 and a molecular weight of 202.25 g/mol. Its IUPAC name is methyl 3-hydroxy-5-oxononanoate.

Molecular Properties

Compound Namemethyl 3-hydroxy-5-oxononanoate
PubChem CID101496570
Molecular FormulaC10H18O4
Molecular Weight202.25 g/mol
Exact Mass202.12
IUPAC Namemethyl 3-hydroxy-5-oxononanoate
SMILESCCCCC(=O)CC(O)CC(=O)OC
InChIInChI=1S/C10H18O4/c1-3-4-5-8(11)6-9(12)7-10(13)14-2/h9,12H,3-7H2,1-2H3
InChIKeyJSZPLGCOCUUFAP-UHFFFAOYSA-N
XLogP1.06
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-hydroxy-5-oxononanoate?
The IUPAC name of methyl 3-hydroxy-5-oxononanoate (CID 101496570) is methyl 3-hydroxy-5-oxononanoate.
What is the SMILES notation for methyl 3-hydroxy-5-oxononanoate?
The canonical SMILES for methyl 3-hydroxy-5-oxononanoate is CCCCC(=O)CC(O)CC(=O)OC.
What is the InChIKey of methyl 3-hydroxy-5-oxononanoate?
The InChIKey is JSZPLGCOCUUFAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O4/c1-3-4-5-8(11)6-9(12)7-10(13)14-2/h9,12H,3-7H2,1-2H3.
What are the key properties of methyl 3-hydroxy-5-oxononanoate?
methyl 3-hydroxy-5-oxononanoate has a molecular weight of 202.25 g/mol, XLogP of 1.06, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-hydroxy-5-oxononanoate is sourced from PubChem (CID 101496570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).