ethyl 1,7,7-trimethyl-9-oxo-8H-furo[3,2-f]chromene-2-carboxylate

C17H18O5 — CID 6623148

IUPACethyl 1,7,7-trimethyl-9-oxo-8H-furo[3,2-f]chromene-2-carboxylate
SMILESCCOC(=O)c1oc2ccc3c(c2c1C)C(=O)CC(C)(C)O3
InChIInChI=1S/C17H18O5/c1-5-20-16(19)15-9(2)13-11(21-15)6-7-12-14(13)10(18)8-17(3,4)22-12/h6-7H,5,8H2,1-4H3
InChIKeyWDMYTASTYANJJN-UHFFFAOYSA-N
MW302.33 g/mol
LogP3.66
Rot. Bonds2

About ethyl 1,7,7-trimethyl-9-oxo-8H-furo[3,2-f]chromene-2-carboxylate

ethyl 1,7,7-trimethyl-9-oxo-8H-furo[3,2-f]chromene-2-carboxylate (PubChem CID 6623148) has the molecular formula C17H18O5 and a molecular weight of 302.33 g/mol. Its IUPAC name is ethyl 1,7,7-trimethyl-9-oxo-8H-furo[3,2-f]chromene-2-carboxylate.

Molecular Properties

Compound Nameethyl 1,7,7-trimethyl-9-oxo-8H-furo[3,2-f]chromene-2-carboxylate
PubChem CID6623148
Molecular FormulaC17H18O5
Molecular Weight302.33 g/mol
Exact Mass302.12
IUPAC Nameethyl 1,7,7-trimethyl-9-oxo-8H-furo[3,2-f]chromene-2-carboxylate
SMILESCCOC(=O)c1oc2ccc3c(c2c1C)C(=O)CC(C)(C)O3
InChIInChI=1S/C17H18O5/c1-5-20-16(19)15-9(2)13-11(21-15)6-7-12-14(13)10(18)8-17(3,4)22-12/h6-7H,5,8H2,1-4H3
InChIKeyWDMYTASTYANJJN-UHFFFAOYSA-N
XLogP3.66
TPSA65.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 1,7,7-trimethyl-9-oxo-8H-furo[3,2-f]chromene-2-carboxylate?
The IUPAC name of ethyl 1,7,7-trimethyl-9-oxo-8H-furo[3,2-f]chromene-2-carboxylate (CID 6623148) is ethyl 1,7,7-trimethyl-9-oxo-8H-furo[3,2-f]chromene-2-carboxylate.
What is the SMILES notation for ethyl 1,7,7-trimethyl-9-oxo-8H-furo[3,2-f]chromene-2-carboxylate?
The canonical SMILES for ethyl 1,7,7-trimethyl-9-oxo-8H-furo[3,2-f]chromene-2-carboxylate is CCOC(=O)c1oc2ccc3c(c2c1C)C(=O)CC(C)(C)O3.
What is the InChIKey of ethyl 1,7,7-trimethyl-9-oxo-8H-furo[3,2-f]chromene-2-carboxylate?
The InChIKey is WDMYTASTYANJJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O5/c1-5-20-16(19)15-9(2)13-11(21-15)6-7-12-14(13)10(18)8-17(3,4)22-12/h6-7H,5,8H2,1-4H3.
What are the key properties of ethyl 1,7,7-trimethyl-9-oxo-8H-furo[3,2-f]chromene-2-carboxylate?
ethyl 1,7,7-trimethyl-9-oxo-8H-furo[3,2-f]chromene-2-carboxylate has a molecular weight of 302.33 g/mol, XLogP of 3.66, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1,7,7-trimethyl-9-oxo-8H-furo[3,2-f]chromene-2-carboxylate is sourced from PubChem (CID 6623148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).