9-ethyl-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione

C19H26O3 — CID 25242071

IUPAC9-ethyl-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione
SMILESCCC1C2=C(CC(C)(C)CC2=O)OC2=C1C(=O)CC(C)(C)C2
InChIInChI=1S/C19H26O3/c1-6-11-16-12(20)7-18(2,3)9-14(16)22-15-10-19(4,5)8-13(21)17(11)15/h11H,6-10H2,1-5H3
InChIKeyAWYRSFOUNCQZNV-UHFFFAOYSA-N
MW302.41 g/mol
LogP4.33
Rot. Bonds1

About 9-ethyl-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione

9-ethyl-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione (PubChem CID 25242071) has the molecular formula C19H26O3 and a molecular weight of 302.41 g/mol. Its IUPAC name is 9-ethyl-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione.

Molecular Properties

Compound Name9-ethyl-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione
PubChem CID25242071
Molecular FormulaC19H26O3
Molecular Weight302.41 g/mol
Exact Mass302.19
IUPAC Name9-ethyl-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione
SMILESCCC1C2=C(CC(C)(C)CC2=O)OC2=C1C(=O)CC(C)(C)C2
InChIInChI=1S/C19H26O3/c1-6-11-16-12(20)7-18(2,3)9-14(16)22-15-10-19(4,5)8-13(21)17(11)15/h11H,6-10H2,1-5H3
InChIKeyAWYRSFOUNCQZNV-UHFFFAOYSA-N
XLogP4.33
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.41
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 9-ethyl-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione with MolForge

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Related Compounds

2,2'-Methylenebis(5,5-dimethyl-3-hydroxy-2-cyclohexen-1-one)
CID 558012
3,3,6,6-Tetramethyl-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione
CID 727017
3,3,6,6,9,9-Hexamethyl-2,4,5,7-tetrahydroxanthene-1,8-dione
CID 739331
3-ethyl-7,7-dimethyl-2-propyl-7,8-dihydro-4H-chromene-4,5(6H)-dione
CID 759610
9-(2-hydroxy-6-oxo-1-cyclohexen-1-yl)-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
CID 765540
9-(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
CID 1209038
9-butyl-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
CID 2137775
9-butyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
CID 2137779
2,7,7-Trimethyl-7,8-dihydro-6H-chromene-4,5-dione
CID 788398
9-(6-hydroxy-2,6-dimethylheptyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione
CID 2871263
2,2'-Propane-1,1-diylbis(3-hydroxy-5,5-dimethylcyclohex-2-en-1-one)
CID 3930643
Dihydrospiciferone A
CID 139590908

Frequently Asked Questions

What is the IUPAC name of 9-ethyl-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione?
The IUPAC name of 9-ethyl-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione (CID 25242071) is 9-ethyl-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione.
What is the SMILES notation for 9-ethyl-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione?
The canonical SMILES for 9-ethyl-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione is CCC1C2=C(CC(C)(C)CC2=O)OC2=C1C(=O)CC(C)(C)C2.
What is the InChIKey of 9-ethyl-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione?
The InChIKey is AWYRSFOUNCQZNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26O3/c1-6-11-16-12(20)7-18(2,3)9-14(16)22-15-10-19(4,5)8-13(21)17(11)15/h11H,6-10H2,1-5H3.
What are the key properties of 9-ethyl-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione?
9-ethyl-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione has a molecular weight of 302.41 g/mol, XLogP of 4.33, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethyl-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione is sourced from PubChem (CID 25242071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).