methyl 2-[(2R,6S)-2-methoxy-6-methyl-5-oxo-2H-pyran-6-yl]acetate

C10H14O5 — CID 50905573

IUPACmethyl 2-[(2R,6S)-2-methoxy-6-methyl-5-oxo-2H-pyran-6-yl]acetate
SMILESCOC(=O)C[C@]1(C)O[C@@H](OC)C=CC1=O
InChIInChI=1S/C10H14O5/c1-10(6-8(12)13-2)7(11)4-5-9(14-3)15-10/h4-5,9H,6H2,1-3H3/t9-,10+/m1/s1
InChIKeyCNAMBMQMIMOTIQ-ZJUUUORDSA-N
MW214.22 g/mol
LogP0.44
Rot. Bonds3

About methyl 2-[(2R,6S)-2-methoxy-6-methyl-5-oxo-2H-pyran-6-yl]acetate

methyl 2-[(2R,6S)-2-methoxy-6-methyl-5-oxo-2H-pyran-6-yl]acetate (PubChem CID 50905573) has the molecular formula C10H14O5 and a molecular weight of 214.22 g/mol. Its IUPAC name is methyl 2-[(2R,6S)-2-methoxy-6-methyl-5-oxo-2H-pyran-6-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[(2R,6S)-2-methoxy-6-methyl-5-oxo-2H-pyran-6-yl]acetate
PubChem CID50905573
Molecular FormulaC10H14O5
Molecular Weight214.22 g/mol
Exact Mass214.08
IUPAC Namemethyl 2-[(2R,6S)-2-methoxy-6-methyl-5-oxo-2H-pyran-6-yl]acetate
SMILESCOC(=O)C[C@]1(C)O[C@@H](OC)C=CC1=O
InChIInChI=1S/C10H14O5/c1-10(6-8(12)13-2)7(11)4-5-9(14-3)15-10/h4-5,9H,6H2,1-3H3/t9-,10+/m1/s1
InChIKeyCNAMBMQMIMOTIQ-ZJUUUORDSA-N
XLogP0.44
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 50.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2R,6S)-2-methoxy-6-methyl-5-oxo-2H-pyran-6-yl]acetate?
The IUPAC name of methyl 2-[(2R,6S)-2-methoxy-6-methyl-5-oxo-2H-pyran-6-yl]acetate (CID 50905573) is methyl 2-[(2R,6S)-2-methoxy-6-methyl-5-oxo-2H-pyran-6-yl]acetate.
What is the SMILES notation for methyl 2-[(2R,6S)-2-methoxy-6-methyl-5-oxo-2H-pyran-6-yl]acetate?
The canonical SMILES for methyl 2-[(2R,6S)-2-methoxy-6-methyl-5-oxo-2H-pyran-6-yl]acetate is COC(=O)C[C@]1(C)O[C@@H](OC)C=CC1=O.
What is the InChIKey of methyl 2-[(2R,6S)-2-methoxy-6-methyl-5-oxo-2H-pyran-6-yl]acetate?
The InChIKey is CNAMBMQMIMOTIQ-ZJUUUORDSA-N. The full InChI is InChI=1S/C10H14O5/c1-10(6-8(12)13-2)7(11)4-5-9(14-3)15-10/h4-5,9H,6H2,1-3H3/t9-,10+/m1/s1.
What are the key properties of methyl 2-[(2R,6S)-2-methoxy-6-methyl-5-oxo-2H-pyran-6-yl]acetate?
methyl 2-[(2R,6S)-2-methoxy-6-methyl-5-oxo-2H-pyran-6-yl]acetate has a molecular weight of 214.22 g/mol, XLogP of 0.44, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2R,6S)-2-methoxy-6-methyl-5-oxo-2H-pyran-6-yl]acetate is sourced from PubChem (CID 50905573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).