(5-methoxy-4-oxopyran-2-yl)methyl 2,5-dimethylfuran-3-carboxylate

C14H14O6 — CID 71971121

IUPAC(5-methoxy-4-oxopyran-2-yl)methyl 2,5-dimethylfuran-3-carboxylate
SMILESCOc1coc(COC(=O)c2cc(C)oc2C)cc1=O
InChIInChI=1S/C14H14O6/c1-8-4-11(9(2)20-8)14(16)19-6-10-5-12(15)13(17-3)7-18-10/h4-5,7H,6H2,1-3H3
InChIKeyKWCIOBCZAPRSFB-UHFFFAOYSA-N
MW278.26 g/mol
LogP2.22
Rot. Bonds4

About (5-methoxy-4-oxopyran-2-yl)methyl 2,5-dimethylfuran-3-carboxylate

(5-methoxy-4-oxopyran-2-yl)methyl 2,5-dimethylfuran-3-carboxylate (PubChem CID 71971121) has the molecular formula C14H14O6 and a molecular weight of 278.26 g/mol. Its IUPAC name is (5-methoxy-4-oxopyran-2-yl)methyl 2,5-dimethylfuran-3-carboxylate.

Molecular Properties

Compound Name(5-methoxy-4-oxopyran-2-yl)methyl 2,5-dimethylfuran-3-carboxylate
PubChem CID71971121
Molecular FormulaC14H14O6
Molecular Weight278.26 g/mol
Exact Mass278.08
IUPAC Name(5-methoxy-4-oxopyran-2-yl)methyl 2,5-dimethylfuran-3-carboxylate
SMILESCOc1coc(COC(=O)c2cc(C)oc2C)cc1=O
InChIInChI=1S/C14H14O6/c1-8-4-11(9(2)20-8)14(16)19-6-10-5-12(15)13(17-3)7-18-10/h4-5,7H,6H2,1-3H3
InChIKeyKWCIOBCZAPRSFB-UHFFFAOYSA-N
XLogP2.22
TPSA78.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.26
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2-bromo-4,5-dimethoxyphenyl)methyl 2,5-dimethylfuran-3-carboxylate
CID 8939086
(5-methoxy-4-oxopyran-2-yl)methyl 2,3-dimethyl-1H-indole-5-carboxylate
CID 71920587
(3-methoxyphenyl)methyl 2,5-dimethylfuran-3-carboxylate
CID 78789323
(5-hydroxy-4-oxopyran-2-yl)methyl 2-hydroxy-3-methoxybenzoate
CID 135364328
methyl 5-[(4,5-dimethoxy-2-nitrobenzoyl)oxymethyl]-2-methylfuran-3-carboxylate
CID 2400855
(2-tert-butyl-1,3-oxazol-4-yl)methyl 2,5-dimethylfuran-3-carboxylate
CID 125419541
2-ethyl-5-methoxypyran-4-one
CID 130030265
[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] 2,5-dimethylfuran-3-carboxylate
CID 2584334
(4-oxo-5-phenylmethoxypyran-2-yl)methyl 3,4,5-trimethoxybenzoate
CID 84559516
(5-hydroxy-4-oxopyran-2-yl)methyl 2-hydroxy-5-methylbenzoate
CID 135364269
3-methylbutyl 2,5-dimethylfuran-3-carboxylate
CID 78832539
ethane;(5-hydroxy-4-oxopyran-2-yl)methyl 2-hydroxybenzoate
CID 145340609

Frequently Asked Questions

What is the IUPAC name of (5-methoxy-4-oxopyran-2-yl)methyl 2,5-dimethylfuran-3-carboxylate?
The IUPAC name of (5-methoxy-4-oxopyran-2-yl)methyl 2,5-dimethylfuran-3-carboxylate (CID 71971121) is (5-methoxy-4-oxopyran-2-yl)methyl 2,5-dimethylfuran-3-carboxylate.
What is the SMILES notation for (5-methoxy-4-oxopyran-2-yl)methyl 2,5-dimethylfuran-3-carboxylate?
The canonical SMILES for (5-methoxy-4-oxopyran-2-yl)methyl 2,5-dimethylfuran-3-carboxylate is COc1coc(COC(=O)c2cc(C)oc2C)cc1=O.
What is the InChIKey of (5-methoxy-4-oxopyran-2-yl)methyl 2,5-dimethylfuran-3-carboxylate?
The InChIKey is KWCIOBCZAPRSFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O6/c1-8-4-11(9(2)20-8)14(16)19-6-10-5-12(15)13(17-3)7-18-10/h4-5,7H,6H2,1-3H3.
What are the key properties of (5-methoxy-4-oxopyran-2-yl)methyl 2,5-dimethylfuran-3-carboxylate?
(5-methoxy-4-oxopyran-2-yl)methyl 2,5-dimethylfuran-3-carboxylate has a molecular weight of 278.26 g/mol, XLogP of 2.22, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methoxy-4-oxopyran-2-yl)methyl 2,5-dimethylfuran-3-carboxylate is sourced from PubChem (CID 71971121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).