methyl 4-methoxy-2-(3-methoxy-3-oxopropyl)-6-oxopyran-3-carboxylate

C12H14O7 — CID 170989635

IUPACmethyl 4-methoxy-2-(3-methoxy-3-oxopropyl)-6-oxopyran-3-carboxylate
SMILESCOC(=O)CCc1oc(=O)cc(OC)c1C(=O)OC
InChIInChI=1S/C12H14O7/c1-16-8-6-10(14)19-7(4-5-9(13)17-2)11(8)12(15)18-3/h6H,4-5H2,1-3H3
InChIKeyHYCIGYIISIXWHK-UHFFFAOYSA-N
MW270.24 g/mol
LogP0.54
Rot. Bonds5

About methyl 4-methoxy-2-(3-methoxy-3-oxopropyl)-6-oxopyran-3-carboxylate

methyl 4-methoxy-2-(3-methoxy-3-oxopropyl)-6-oxopyran-3-carboxylate (PubChem CID 170989635) has the molecular formula C12H14O7 and a molecular weight of 270.24 g/mol. Its IUPAC name is methyl 4-methoxy-2-(3-methoxy-3-oxopropyl)-6-oxopyran-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-methoxy-2-(3-methoxy-3-oxopropyl)-6-oxopyran-3-carboxylate
PubChem CID170989635
Molecular FormulaC12H14O7
Molecular Weight270.24 g/mol
Exact Mass270.07
IUPAC Namemethyl 4-methoxy-2-(3-methoxy-3-oxopropyl)-6-oxopyran-3-carboxylate
SMILESCOC(=O)CCc1oc(=O)cc(OC)c1C(=O)OC
InChIInChI=1S/C12H14O7/c1-16-8-6-10(14)19-7(4-5-9(13)17-2)11(8)12(15)18-3/h6H,4-5H2,1-3H3
InChIKeyHYCIGYIISIXWHK-UHFFFAOYSA-N
XLogP0.54
TPSA92.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.24
LogP ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2H-Pyran-5-carboxylic acid, 4,6-dimethyl-2-oxo-, methyl ester
CID 170485
ethyl 4,6-dimethyl-2-oxo-2H-pyran-5-carboxylate
CID 76918
Pyrenocine A
CID 6312351
2H-Furo[3,4-b]pyran-2,5(7H)-dione, 7-ethyl-4-methoxy-, (7S)-
CID 10242206
Lavjuismiztlgi-uhfffaoysa-
CID 11492190
Daldiniapyrone
CID 10912069
methyl 2-[2-[2-[(2E)-3,7-dimethylocta-2,6-dienoxy]-2-oxoethyl]-6-oxopyran-3-yl]acetate
CID 73054901
5-Butanoyl-4-methoxy-6-methylpyran-2-one
CID 71524172
5-But-2-enoyl-4-methoxy-6-methylpyran-2-one
CID 131296
Pyrenocine D
CID 10488565
Scirpyrone K
CID 139590687
Methyl 2-[2-[2-(3,7-dimethylocta-2,6-dienoxy)-2-oxoethyl]-6-oxopyran-3-yl]acetate
CID 162870635

Frequently Asked Questions

What is the IUPAC name of methyl 4-methoxy-2-(3-methoxy-3-oxopropyl)-6-oxopyran-3-carboxylate?
The IUPAC name of methyl 4-methoxy-2-(3-methoxy-3-oxopropyl)-6-oxopyran-3-carboxylate (CID 170989635) is methyl 4-methoxy-2-(3-methoxy-3-oxopropyl)-6-oxopyran-3-carboxylate.
What is the SMILES notation for methyl 4-methoxy-2-(3-methoxy-3-oxopropyl)-6-oxopyran-3-carboxylate?
The canonical SMILES for methyl 4-methoxy-2-(3-methoxy-3-oxopropyl)-6-oxopyran-3-carboxylate is COC(=O)CCc1oc(=O)cc(OC)c1C(=O)OC.
What is the InChIKey of methyl 4-methoxy-2-(3-methoxy-3-oxopropyl)-6-oxopyran-3-carboxylate?
The InChIKey is HYCIGYIISIXWHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O7/c1-16-8-6-10(14)19-7(4-5-9(13)17-2)11(8)12(15)18-3/h6H,4-5H2,1-3H3.
What are the key properties of methyl 4-methoxy-2-(3-methoxy-3-oxopropyl)-6-oxopyran-3-carboxylate?
methyl 4-methoxy-2-(3-methoxy-3-oxopropyl)-6-oxopyran-3-carboxylate has a molecular weight of 270.24 g/mol, XLogP of 0.54, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methoxy-2-(3-methoxy-3-oxopropyl)-6-oxopyran-3-carboxylate is sourced from PubChem (CID 170989635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).