6a-hydroxy-3,6,9a-trimethyl-4,5,6,9b-tetrahydroazuleno[8,7-b]furan-2,9-dione

C15H18O4 — CID 162867595

IUPAC6a-hydroxy-3,6,9a-trimethyl-4,5,6,9b-tetrahydroazuleno[8,7-b]furan-2,9-dione
SMILESCC1=C2CCC(C)C3(O)C=CC(=O)C3(C)C2OC1=O
InChIInChI=1S/C15H18O4/c1-8-4-5-10-9(2)13(17)19-12(10)14(3)11(16)6-7-15(8,14)18/h6-8,12,18H,4-5H2,1-3H3
InChIKeyBPVQNBYPLJDFIA-UHFFFAOYSA-N
MW262.30 g/mol
LogP1.53
Rot. Bonds

About 6a-hydroxy-3,6,9a-trimethyl-4,5,6,9b-tetrahydroazuleno[8,7-b]furan-2,9-dione

6a-hydroxy-3,6,9a-trimethyl-4,5,6,9b-tetrahydroazuleno[8,7-b]furan-2,9-dione (PubChem CID 162867595) has the molecular formula C15H18O4 and a molecular weight of 262.30 g/mol. Its IUPAC name is 6a-hydroxy-3,6,9a-trimethyl-4,5,6,9b-tetrahydroazuleno[8,7-b]furan-2,9-dione.

Molecular Properties

Compound Name6a-hydroxy-3,6,9a-trimethyl-4,5,6,9b-tetrahydroazuleno[8,7-b]furan-2,9-dione
PubChem CID162867595
Molecular FormulaC15H18O4
Molecular Weight262.30 g/mol
Exact Mass262.12
IUPAC Name6a-hydroxy-3,6,9a-trimethyl-4,5,6,9b-tetrahydroazuleno[8,7-b]furan-2,9-dione
SMILESCC1=C2CCC(C)C3(O)C=CC(=O)C3(C)C2OC1=O
InChIInChI=1S/C15H18O4/c1-8-4-5-10-9(2)13(17)19-12(10)14(3)11(16)6-7-15(8,14)18/h6-8,12,18H,4-5H2,1-3H3
InChIKeyBPVQNBYPLJDFIA-UHFFFAOYSA-N
XLogP1.53
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.30
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6a-hydroxy-3,6,9a-trimethyl-4,5,6,9b-tetrahydroazuleno[8,7-b]furan-2,9-dione with MolForge

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Related Compounds

(3aS,6S,6aS,9aS,9bR)-6a-hydroxy-6,9a-dimethyl-1'-(2-methylphenyl)spiro[4,5,6,9b-tetrahydro-3aH-azuleno[8,7-b]furan-3,2'-aziridine]-2,9-dione
CID 53376437
(1R,2R,9R,10S)-9-hydroxy-1,5,9-trimethyl-3,14-dioxatricyclo[8.4.0.02,6]tetradec-5-ene-4,13-dione
CID 163014345
(3aR,6S,6aS,9aS,9bR)-6a-hydroxy-6,9a-dimethyl-3'-(4-methylphenyl)spiro[4,5,6,9b-tetrahydro-3aH-azuleno[8,7-b]furan-3,5'-4H-1,2-oxazole]-2,9-dione
CID 53376243
(6'S,6'aS,9'aS)-6'a-hydroxy-6',9'a-dimethyl-3-(3-methylphenyl)spiro[2H-1,2-oxazole-5,3'-4,5,6,9b-tetrahydro-3aH-azuleno[8,7-b]furan]-2',9'-dione
CID 123962455
(3R,3'aR,6'S,6'aS,9'aS,9'bR)-6'a-hydroxy-6',9'a-dimethyl-3-(2-methylphenyl)-2-phenylspiro[1,2-oxazolidine-5,3'-4,5,6,9b-tetrahydro-3aH-azuleno[8,7-b]furan]-2',9'-dione
CID 53376541
(3'aR,5S,6'S,6'aS,9'aS,9'bR)-6'a-hydroxy-6',9'a-dimethyl-2,3-diphenylspiro[1,2-oxazolidine-5,3'-4,5,6,9b-tetrahydro-3aH-azuleno[8,7-b]furan]-2',9'-dione
CID 56676947
(3aR,6S,6aS,9aS,9bR)-3'-[4-(dimethylamino)phenyl]-6a-hydroxy-6,9a-dimethylspiro[4,5,6,9b-tetrahydro-3aH-azuleno[8,7-b]furan-3,5'-4H-1,2-oxazole]-2,9-dione
CID 53376018
(3S,3'aR,6'S,6'aS,9'aS,9'bR)-6'a-hydroxy-6',9'a-dimethyl-3-(2,3,4,5,6-pentafluorophenyl)-2-phenylspiro[1,2-oxazolidine-5,3'-4,5,6,9b-tetrahydro-3aH-azuleno[8,7-b]furan]-2',9'-dione
CID 53377219
(3'aR,6'S,6'aS,9'aS,9'bR)-6'a-hydroxy-3-(4-hydroxyphenyl)-6',9'a-dimethylspiro[2H-1,2-oxazole-5,3'-4,5,6,9b-tetrahydro-3aH-azuleno[8,7-b]furan]-2',9'-dione
CID 123330638
(3aR,6S,6aS,9aS,9bR)-6a-hydroxy-3'-(4-methoxyphenyl)-6,9a-dimethylspiro[4,5,6,9b-tetrahydro-3aH-azuleno[8,7-b]furan-3,5'-4H-1,2-oxazole]-2,9-dione
CID 53375896
(3S,3aR,6S,6aS,9aS,9bR)-6a-hydroxy-6,9a-dimethyl-3'-(2-nitrophenyl)spiro[4,5,6,9b-tetrahydro-3aH-azuleno[8,7-b]furan-3,5'-4H-1,2-oxazole]-2,9-dione
CID 56680558
(6R)-3,6-dimethyl-5,6,7,7a-tetrahydro-4H-1-benzofuran-2-one
CID 14734005

Frequently Asked Questions

What is the IUPAC name of 6a-hydroxy-3,6,9a-trimethyl-4,5,6,9b-tetrahydroazuleno[8,7-b]furan-2,9-dione?
The IUPAC name of 6a-hydroxy-3,6,9a-trimethyl-4,5,6,9b-tetrahydroazuleno[8,7-b]furan-2,9-dione (CID 162867595) is 6a-hydroxy-3,6,9a-trimethyl-4,5,6,9b-tetrahydroazuleno[8,7-b]furan-2,9-dione.
What is the SMILES notation for 6a-hydroxy-3,6,9a-trimethyl-4,5,6,9b-tetrahydroazuleno[8,7-b]furan-2,9-dione?
The canonical SMILES for 6a-hydroxy-3,6,9a-trimethyl-4,5,6,9b-tetrahydroazuleno[8,7-b]furan-2,9-dione is CC1=C2CCC(C)C3(O)C=CC(=O)C3(C)C2OC1=O.
What is the InChIKey of 6a-hydroxy-3,6,9a-trimethyl-4,5,6,9b-tetrahydroazuleno[8,7-b]furan-2,9-dione?
The InChIKey is BPVQNBYPLJDFIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O4/c1-8-4-5-10-9(2)13(17)19-12(10)14(3)11(16)6-7-15(8,14)18/h6-8,12,18H,4-5H2,1-3H3.
What are the key properties of 6a-hydroxy-3,6,9a-trimethyl-4,5,6,9b-tetrahydroazuleno[8,7-b]furan-2,9-dione?
6a-hydroxy-3,6,9a-trimethyl-4,5,6,9b-tetrahydroazuleno[8,7-b]furan-2,9-dione has a molecular weight of 262.30 g/mol, XLogP of 1.53, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6a-hydroxy-3,6,9a-trimethyl-4,5,6,9b-tetrahydroazuleno[8,7-b]furan-2,9-dione is sourced from PubChem (CID 162867595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).