ethyl 6-methyl-4-oxo-6a,8-dihydro-6H-pyrano[2,3-h]chromene-2-carboxylate

C16H16O5 — CID 54120697

IUPACethyl 6-methyl-4-oxo-6a,8-dihydro-6H-pyrano[2,3-h]chromene-2-carboxylate
SMILESCCOC(=O)c1cc(=O)c2c(o1)=C1C=CCOC1C(C)C=2
InChIInChI=1S/C16H16O5/c1-3-19-16(18)13-8-12(17)11-7-9(2)14-10(15(11)21-13)5-4-6-20-14/h4-5,7-9,14H,3,6H2,1-2H3
InChIKeyNNMHRURPTHORSM-UHFFFAOYSA-N
MW288.30 g/mol
LogP0.35
Rot. Bonds2

About ethyl 6-methyl-4-oxo-6a,8-dihydro-6H-pyrano[2,3-h]chromene-2-carboxylate

ethyl 6-methyl-4-oxo-6a,8-dihydro-6H-pyrano[2,3-h]chromene-2-carboxylate (PubChem CID 54120697) has the molecular formula C16H16O5 and a molecular weight of 288.30 g/mol. Its IUPAC name is ethyl 6-methyl-4-oxo-6a,8-dihydro-6H-pyrano[2,3-h]chromene-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-methyl-4-oxo-6a,8-dihydro-6H-pyrano[2,3-h]chromene-2-carboxylate
PubChem CID54120697
Molecular FormulaC16H16O5
Molecular Weight288.30 g/mol
Exact Mass288.10
IUPAC Nameethyl 6-methyl-4-oxo-6a,8-dihydro-6H-pyrano[2,3-h]chromene-2-carboxylate
SMILESCCOC(=O)c1cc(=O)c2c(o1)=C1C=CCOC1C(C)C=2
InChIInChI=1S/C16H16O5/c1-3-19-16(18)13-8-12(17)11-7-9(2)14-10(15(11)21-13)5-4-6-20-14/h4-5,7-9,14H,3,6H2,1-2H3
InChIKeyNNMHRURPTHORSM-UHFFFAOYSA-N
XLogP0.35
TPSA65.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 50.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-methyl-4-oxo-6a,8-dihydro-6H-pyrano[2,3-h]chromene-2-carboxylate?
The IUPAC name of ethyl 6-methyl-4-oxo-6a,8-dihydro-6H-pyrano[2,3-h]chromene-2-carboxylate (CID 54120697) is ethyl 6-methyl-4-oxo-6a,8-dihydro-6H-pyrano[2,3-h]chromene-2-carboxylate.
What is the SMILES notation for ethyl 6-methyl-4-oxo-6a,8-dihydro-6H-pyrano[2,3-h]chromene-2-carboxylate?
The canonical SMILES for ethyl 6-methyl-4-oxo-6a,8-dihydro-6H-pyrano[2,3-h]chromene-2-carboxylate is CCOC(=O)c1cc(=O)c2c(o1)=C1C=CCOC1C(C)C=2.
What is the InChIKey of ethyl 6-methyl-4-oxo-6a,8-dihydro-6H-pyrano[2,3-h]chromene-2-carboxylate?
The InChIKey is NNMHRURPTHORSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O5/c1-3-19-16(18)13-8-12(17)11-7-9(2)14-10(15(11)21-13)5-4-6-20-14/h4-5,7-9,14H,3,6H2,1-2H3.
What are the key properties of ethyl 6-methyl-4-oxo-6a,8-dihydro-6H-pyrano[2,3-h]chromene-2-carboxylate?
ethyl 6-methyl-4-oxo-6a,8-dihydro-6H-pyrano[2,3-h]chromene-2-carboxylate has a molecular weight of 288.30 g/mol, XLogP of 0.35, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-methyl-4-oxo-6a,8-dihydro-6H-pyrano[2,3-h]chromene-2-carboxylate is sourced from PubChem (CID 54120697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).