methyl 2,2-dimethyl-8-oxo-9,9b-dihydro-3H-furo[2,3-h]chromene-6-carboxylate

C15H16O5 — CID 90701920

IUPACmethyl 2,2-dimethyl-8-oxo-9,9b-dihydro-3H-furo[2,3-h]chromene-6-carboxylate
SMILESCOC(=O)C1=CC2=CCC(C)(C)OC2C2=C1OC(=O)C2
InChIInChI=1S/C15H16O5/c1-15(2)5-4-8-6-10(14(17)18-3)13-9(12(8)20-15)7-11(16)19-13/h4,6,12H,5,7H2,1-3H3
InChIKeyDEHFVWPJTOHDDW-UHFFFAOYSA-N
MW276.29 g/mol
LogP1.79
Rot. Bonds1

About methyl 2,2-dimethyl-8-oxo-9,9b-dihydro-3H-furo[2,3-h]chromene-6-carboxylate

methyl 2,2-dimethyl-8-oxo-9,9b-dihydro-3H-furo[2,3-h]chromene-6-carboxylate (PubChem CID 90701920) has the molecular formula C15H16O5 and a molecular weight of 276.29 g/mol. Its IUPAC name is methyl 2,2-dimethyl-8-oxo-9,9b-dihydro-3H-furo[2,3-h]chromene-6-carboxylate.

Molecular Properties

Compound Namemethyl 2,2-dimethyl-8-oxo-9,9b-dihydro-3H-furo[2,3-h]chromene-6-carboxylate
PubChem CID90701920
Molecular FormulaC15H16O5
Molecular Weight276.29 g/mol
Exact Mass276.10
IUPAC Namemethyl 2,2-dimethyl-8-oxo-9,9b-dihydro-3H-furo[2,3-h]chromene-6-carboxylate
SMILESCOC(=O)C1=CC2=CCC(C)(C)OC2C2=C1OC(=O)C2
InChIInChI=1S/C15H16O5/c1-15(2)5-4-8-6-10(14(17)18-3)13-9(12(8)20-15)7-11(16)19-13/h4,6,12H,5,7H2,1-3H3
InChIKeyDEHFVWPJTOHDDW-UHFFFAOYSA-N
XLogP1.79
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 2,2-dimethyl-8-oxo-9,9b-dihydro-3H-furo[2,3-h]chromene-6-carboxylate with MolForge

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Related Compounds

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Methyl 5-(2-methoxy-2-oxoethyl)-2-prop-1-en-2-yl-2,3-dihydrofuran-4-carboxylate
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[6-(Acetyloxymethyl)-1,10-dimethyl-5-oxo-4,14-dioxatricyclo[9.2.1.03,7]tetradeca-2,6,11-trien-8-yl] 2-methylprop-2-enoate
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[(1S,2Z,8S,10S)-6-(acetyloxymethyl)-1,10-dimethyl-5-oxo-4,14-dioxatricyclo[9.2.1.03,7]tetradeca-2,6,11-trien-8-yl] 2-methylprop-2-enoate
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Frequently Asked Questions

What is the IUPAC name of methyl 2,2-dimethyl-8-oxo-9,9b-dihydro-3H-furo[2,3-h]chromene-6-carboxylate?
The IUPAC name of methyl 2,2-dimethyl-8-oxo-9,9b-dihydro-3H-furo[2,3-h]chromene-6-carboxylate (CID 90701920) is methyl 2,2-dimethyl-8-oxo-9,9b-dihydro-3H-furo[2,3-h]chromene-6-carboxylate.
What is the SMILES notation for methyl 2,2-dimethyl-8-oxo-9,9b-dihydro-3H-furo[2,3-h]chromene-6-carboxylate?
The canonical SMILES for methyl 2,2-dimethyl-8-oxo-9,9b-dihydro-3H-furo[2,3-h]chromene-6-carboxylate is COC(=O)C1=CC2=CCC(C)(C)OC2C2=C1OC(=O)C2.
What is the InChIKey of methyl 2,2-dimethyl-8-oxo-9,9b-dihydro-3H-furo[2,3-h]chromene-6-carboxylate?
The InChIKey is DEHFVWPJTOHDDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O5/c1-15(2)5-4-8-6-10(14(17)18-3)13-9(12(8)20-15)7-11(16)19-13/h4,6,12H,5,7H2,1-3H3.
What are the key properties of methyl 2,2-dimethyl-8-oxo-9,9b-dihydro-3H-furo[2,3-h]chromene-6-carboxylate?
methyl 2,2-dimethyl-8-oxo-9,9b-dihydro-3H-furo[2,3-h]chromene-6-carboxylate has a molecular weight of 276.29 g/mol, XLogP of 1.79, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,2-dimethyl-8-oxo-9,9b-dihydro-3H-furo[2,3-h]chromene-6-carboxylate is sourced from PubChem (CID 90701920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).