diethyl 8-methyl-10-oxo-4aH-pyrano[4,3-b]chromene-3,4-dicarboxylate

C19H18O7 — CID 102424097

IUPACdiethyl 8-methyl-10-oxo-4aH-pyrano[4,3-b]chromene-3,4-dicarboxylate
SMILESCCOC(=O)C1=C(C(=O)OCC)C2Oc3ccc(C)cc3C(=O)C2=CO1
InChIInChI=1S/C19H18O7/c1-4-23-18(21)14-16-12(9-25-17(14)19(22)24-5-2)15(20)11-8-10(3)6-7-13(11)26-16/h6-9,16H,4-5H2,1-3H3
InChIKeyGYSKBRPOEPRPOW-UHFFFAOYSA-N
MW358.35 g/mol
LogP2.23
Rot. Bonds4

About diethyl 8-methyl-10-oxo-4aH-pyrano[4,3-b]chromene-3,4-dicarboxylate

diethyl 8-methyl-10-oxo-4aH-pyrano[4,3-b]chromene-3,4-dicarboxylate (PubChem CID 102424097) has the molecular formula C19H18O7 and a molecular weight of 358.35 g/mol. Its IUPAC name is diethyl 8-methyl-10-oxo-4aH-pyrano[4,3-b]chromene-3,4-dicarboxylate.

Molecular Properties

Compound Namediethyl 8-methyl-10-oxo-4aH-pyrano[4,3-b]chromene-3,4-dicarboxylate
PubChem CID102424097
Molecular FormulaC19H18O7
Molecular Weight358.35 g/mol
Exact Mass358.11
IUPAC Namediethyl 8-methyl-10-oxo-4aH-pyrano[4,3-b]chromene-3,4-dicarboxylate
SMILESCCOC(=O)C1=C(C(=O)OCC)C2Oc3ccc(C)cc3C(=O)C2=CO1
InChIInChI=1S/C19H18O7/c1-4-23-18(21)14-16-12(9-25-17(14)19(22)24-5-2)15(20)11-8-10(3)6-7-13(11)26-16/h6-9,16H,4-5H2,1-3H3
InChIKeyGYSKBRPOEPRPOW-UHFFFAOYSA-N
XLogP2.23
TPSA88.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.35
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

diethyl 8-chloro-10-oxo-4aH-pyrano[4,3-b]chromene-3,4-dicarboxylate
CID 102424098
ethyl 5-methyl-2-oxo-9,14-dioxa-11-azatetracyclo[8.7.0.03,8.011,15]heptadeca-1(17),3(8),4,6,15-pentaene-16-carboxylate
CID 132583562
4-O-ethyl 3-O-methyl 8-bromo-2-(4-methylphenyl)sulfonyl-10-oxo-4aH-chromeno[3,2-c]pyridine-3,4-dicarboxylate
CID 139223679
(3S,4aS)-3-ethoxy-8-methyl-4,4a-dihydro-3H-pyrano[4,3-b]chromen-10-one
CID 23260350
4-(6-methyl-3,4-dioxochromen-2-yl)benzoic acid
CID 10469817
ethyl 5-hydroxy-8-methyl-1-benzoxepine-3-carboxylate
CID 86057644
diethyl 3-hydroxy-6-methyl-3H-indene-1,2-dicarboxylate
CID 134983670
ethyl 4-methylbenzoate;hydrochloride
CID 172804692
5-methyl-1-benzofuran-2,3-dione
CID 56974146
ethyl 4,5-bis(2,4-dimethylphenyl)-3-oxo-2-phenylcyclopenta-1,4-diene-1-carboxylate
CID 102235999
diethyl (2S)-4-phenyl-2H-chromene-2,3-dicarboxylate
CID 11772543
2-ethyl-7-methyl-3,4-dihydro-2H-1-benzoxepin-5-one
CID 54350762

Frequently Asked Questions

What is the IUPAC name of diethyl 8-methyl-10-oxo-4aH-pyrano[4,3-b]chromene-3,4-dicarboxylate?
The IUPAC name of diethyl 8-methyl-10-oxo-4aH-pyrano[4,3-b]chromene-3,4-dicarboxylate (CID 102424097) is diethyl 8-methyl-10-oxo-4aH-pyrano[4,3-b]chromene-3,4-dicarboxylate.
What is the SMILES notation for diethyl 8-methyl-10-oxo-4aH-pyrano[4,3-b]chromene-3,4-dicarboxylate?
The canonical SMILES for diethyl 8-methyl-10-oxo-4aH-pyrano[4,3-b]chromene-3,4-dicarboxylate is CCOC(=O)C1=C(C(=O)OCC)C2Oc3ccc(C)cc3C(=O)C2=CO1.
What is the InChIKey of diethyl 8-methyl-10-oxo-4aH-pyrano[4,3-b]chromene-3,4-dicarboxylate?
The InChIKey is GYSKBRPOEPRPOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O7/c1-4-23-18(21)14-16-12(9-25-17(14)19(22)24-5-2)15(20)11-8-10(3)6-7-13(11)26-16/h6-9,16H,4-5H2,1-3H3.
What are the key properties of diethyl 8-methyl-10-oxo-4aH-pyrano[4,3-b]chromene-3,4-dicarboxylate?
diethyl 8-methyl-10-oxo-4aH-pyrano[4,3-b]chromene-3,4-dicarboxylate has a molecular weight of 358.35 g/mol, XLogP of 2.23, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 8-methyl-10-oxo-4aH-pyrano[4,3-b]chromene-3,4-dicarboxylate is sourced from PubChem (CID 102424097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).