5,7,7-trimethyl-6,8-dihydro-1H-azuleno[5,6-c]furan-3,9-dione

C15H16O3 — CID 14314436

IUPAC5,7,7-trimethyl-6,8-dihydro-1H-azuleno[5,6-c]furan-3,9-dione
SMILESCc1cc2c(c(=O)c3c1CC(C)(C)C3)COC2=O
InChIInChI=1S/C15H16O3/c1-8-4-9-12(7-18-14(9)17)13(16)11-6-15(2,3)5-10(8)11/h4H,5-7H2,1-3H3
InChIKeyLRDFOPNJXHWGGG-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.15
Rot. Bonds

About 5,7,7-trimethyl-6,8-dihydro-1H-azuleno[5,6-c]furan-3,9-dione

5,7,7-trimethyl-6,8-dihydro-1H-azuleno[5,6-c]furan-3,9-dione (PubChem CID 14314436) has the molecular formula C15H16O3 and a molecular weight of 244.29 g/mol. Its IUPAC name is 5,7,7-trimethyl-6,8-dihydro-1H-azuleno[5,6-c]furan-3,9-dione.

Molecular Properties

Compound Name5,7,7-trimethyl-6,8-dihydro-1H-azuleno[5,6-c]furan-3,9-dione
PubChem CID14314436
Molecular FormulaC15H16O3
Molecular Weight244.29 g/mol
Exact Mass244.11
IUPAC Name5,7,7-trimethyl-6,8-dihydro-1H-azuleno[5,6-c]furan-3,9-dione
SMILESCc1cc2c(c(=O)c3c1CC(C)(C)C3)COC2=O
InChIInChI=1S/C15H16O3/c1-8-4-9-12(7-18-14(9)17)13(16)11-6-15(2,3)5-10(8)11/h4H,5-7H2,1-3H3
InChIKeyLRDFOPNJXHWGGG-UHFFFAOYSA-N
XLogP2.15
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,7,7-trimethyl-6,8-dihydro-1H-azuleno[5,6-c]furan-3,9-dione?
The IUPAC name of 5,7,7-trimethyl-6,8-dihydro-1H-azuleno[5,6-c]furan-3,9-dione (CID 14314436) is 5,7,7-trimethyl-6,8-dihydro-1H-azuleno[5,6-c]furan-3,9-dione.
What is the SMILES notation for 5,7,7-trimethyl-6,8-dihydro-1H-azuleno[5,6-c]furan-3,9-dione?
The canonical SMILES for 5,7,7-trimethyl-6,8-dihydro-1H-azuleno[5,6-c]furan-3,9-dione is Cc1cc2c(c(=O)c3c1CC(C)(C)C3)COC2=O.
What is the InChIKey of 5,7,7-trimethyl-6,8-dihydro-1H-azuleno[5,6-c]furan-3,9-dione?
The InChIKey is LRDFOPNJXHWGGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O3/c1-8-4-9-12(7-18-14(9)17)13(16)11-6-15(2,3)5-10(8)11/h4H,5-7H2,1-3H3.
What are the key properties of 5,7,7-trimethyl-6,8-dihydro-1H-azuleno[5,6-c]furan-3,9-dione?
5,7,7-trimethyl-6,8-dihydro-1H-azuleno[5,6-c]furan-3,9-dione has a molecular weight of 244.29 g/mol, XLogP of 2.15, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7,7-trimethyl-6,8-dihydro-1H-azuleno[5,6-c]furan-3,9-dione is sourced from PubChem (CID 14314436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).