methyl 5-hydroxy-5-(4-methoxy-3-methyl-6-oxopyran-2-yl)pentanoate

C13H18O6 — CID 170988453

IUPACmethyl 5-hydroxy-5-(4-methoxy-3-methyl-6-oxopyran-2-yl)pentanoate
SMILESCOC(=O)CCCC(O)c1oc(=O)cc(OC)c1C
InChIInChI=1S/C13H18O6/c1-8-10(17-2)7-12(16)19-13(8)9(14)5-4-6-11(15)18-3/h7,9,14H,4-6H2,1-3H3
InChIKeyYQKYPQWCRSRAKI-UHFFFAOYSA-N
MW270.28 g/mol
LogP1.33
Rot. Bonds6

About methyl 5-hydroxy-5-(4-methoxy-3-methyl-6-oxopyran-2-yl)pentanoate

methyl 5-hydroxy-5-(4-methoxy-3-methyl-6-oxopyran-2-yl)pentanoate (PubChem CID 170988453) has the molecular formula C13H18O6 and a molecular weight of 270.28 g/mol. Its IUPAC name is methyl 5-hydroxy-5-(4-methoxy-3-methyl-6-oxopyran-2-yl)pentanoate.

Molecular Properties

Compound Namemethyl 5-hydroxy-5-(4-methoxy-3-methyl-6-oxopyran-2-yl)pentanoate
PubChem CID170988453
Molecular FormulaC13H18O6
Molecular Weight270.28 g/mol
Exact Mass270.11
IUPAC Namemethyl 5-hydroxy-5-(4-methoxy-3-methyl-6-oxopyran-2-yl)pentanoate
SMILESCOC(=O)CCCC(O)c1oc(=O)cc(OC)c1C
InChIInChI=1S/C13H18O6/c1-8-10(17-2)7-12(16)19-13(8)9(14)5-4-6-11(15)18-3/h7,9,14H,4-6H2,1-3H3
InChIKeyYQKYPQWCRSRAKI-UHFFFAOYSA-N
XLogP1.33
TPSA85.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 5-hydroxy-5-(4-methoxy-3-methyl-6-oxopyran-2-yl)pentanoate?
The IUPAC name of methyl 5-hydroxy-5-(4-methoxy-3-methyl-6-oxopyran-2-yl)pentanoate (CID 170988453) is methyl 5-hydroxy-5-(4-methoxy-3-methyl-6-oxopyran-2-yl)pentanoate.
What is the SMILES notation for methyl 5-hydroxy-5-(4-methoxy-3-methyl-6-oxopyran-2-yl)pentanoate?
The canonical SMILES for methyl 5-hydroxy-5-(4-methoxy-3-methyl-6-oxopyran-2-yl)pentanoate is COC(=O)CCCC(O)c1oc(=O)cc(OC)c1C.
What is the InChIKey of methyl 5-hydroxy-5-(4-methoxy-3-methyl-6-oxopyran-2-yl)pentanoate?
The InChIKey is YQKYPQWCRSRAKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O6/c1-8-10(17-2)7-12(16)19-13(8)9(14)5-4-6-11(15)18-3/h7,9,14H,4-6H2,1-3H3.
What are the key properties of methyl 5-hydroxy-5-(4-methoxy-3-methyl-6-oxopyran-2-yl)pentanoate?
methyl 5-hydroxy-5-(4-methoxy-3-methyl-6-oxopyran-2-yl)pentanoate has a molecular weight of 270.28 g/mol, XLogP of 1.33, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-hydroxy-5-(4-methoxy-3-methyl-6-oxopyran-2-yl)pentanoate is sourced from PubChem (CID 170988453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).