methyl (2R)-2-methoxy-4-methyl-2H-pyran-6-carboxylate

C9H12O4 — CID 125474484

IUPACmethyl (2R)-2-methoxy-4-methyl-2H-pyran-6-carboxylate
SMILESCOC(=O)C1=CC(C)=C[C@H](OC)O1
InChIInChI=1S/C9H12O4/c1-6-4-7(9(10)12-3)13-8(5-6)11-2/h4-5,8H,1-3H3/t8-/m1/s1
InChIKeyCQEWVSZVNLAMFR-MRVPVSSYSA-N
MW184.19 g/mol
LogP0.99
Rot. Bonds2

About methyl (2R)-2-methoxy-4-methyl-2H-pyran-6-carboxylate

methyl (2R)-2-methoxy-4-methyl-2H-pyran-6-carboxylate (PubChem CID 125474484) has the molecular formula C9H12O4 and a molecular weight of 184.19 g/mol. Its IUPAC name is methyl (2R)-2-methoxy-4-methyl-2H-pyran-6-carboxylate.

Molecular Properties

Compound Namemethyl (2R)-2-methoxy-4-methyl-2H-pyran-6-carboxylate
PubChem CID125474484
Molecular FormulaC9H12O4
Molecular Weight184.19 g/mol
Exact Mass184.07
IUPAC Namemethyl (2R)-2-methoxy-4-methyl-2H-pyran-6-carboxylate
SMILESCOC(=O)C1=CC(C)=C[C@H](OC)O1
InChIInChI=1S/C9H12O4/c1-6-4-7(9(10)12-3)13-8(5-6)11-2/h4-5,8H,1-3H3/t8-/m1/s1
InChIKeyCQEWVSZVNLAMFR-MRVPVSSYSA-N
XLogP0.99
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-methyl-2-oxo-2H-pyran-6-carboxylate
CID 2739565
methyl 1-methoxy-5,8-dioxo-1H-isochromene-3-carboxylate
CID 18932697
Ethyl 3-fluoro-4-methyl-6-oxopyran-2-carboxylate
CID 14516685
3-[(2,5-Dihydro-4-methyl-5-oxo-2-furanyl)oxy]-2-methyl-4H-pyran-4-one
CID 122641511
(5-ethoxy-3,3-dimethyl-6-oxo-2H-pyran-2-yl) acetate
CID 12927645
Dimethyl 4-cyclohepta-2,4,6-trien-1-ylidenepyran-2,6-dicarboxylate
CID 12370078
Ethyl 3,4-dimethyl-6-oxopyran-2-carboxylate
CID 45076193
ethyl (2S,4R)-2-ethoxy-4-methyl-3,4-dihydro-2H-pyran-6-carboxylate
CID 45094352
Ethyl 6-oxo-3-propylpyran-2-carboxylate
CID 164685051
Ethyl 3-methyl-6-oxopyran-2-carboxylate
CID 164685513
2-hydroxy-4-[(E)-3-oxoprop-1-enyl]-2H-pyran-6-carboxylic acid
CID 102514949
ethyl (Z)-2-acetyloxy-4-(methoxymethoxy)pent-2-enoate
CID 21632751

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-methoxy-4-methyl-2H-pyran-6-carboxylate?
The IUPAC name of methyl (2R)-2-methoxy-4-methyl-2H-pyran-6-carboxylate (CID 125474484) is methyl (2R)-2-methoxy-4-methyl-2H-pyran-6-carboxylate.
What is the SMILES notation for methyl (2R)-2-methoxy-4-methyl-2H-pyran-6-carboxylate?
The canonical SMILES for methyl (2R)-2-methoxy-4-methyl-2H-pyran-6-carboxylate is COC(=O)C1=CC(C)=C[C@H](OC)O1.
What is the InChIKey of methyl (2R)-2-methoxy-4-methyl-2H-pyran-6-carboxylate?
The InChIKey is CQEWVSZVNLAMFR-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H12O4/c1-6-4-7(9(10)12-3)13-8(5-6)11-2/h4-5,8H,1-3H3/t8-/m1/s1.
What are the key properties of methyl (2R)-2-methoxy-4-methyl-2H-pyran-6-carboxylate?
methyl (2R)-2-methoxy-4-methyl-2H-pyran-6-carboxylate has a molecular weight of 184.19 g/mol, XLogP of 0.99, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-methoxy-4-methyl-2H-pyran-6-carboxylate is sourced from PubChem (CID 125474484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).