2,2,6,6,8,8-hexamethyl-3,4-dihydrochromene-5,7-dione

C15H22O3 — CID 155931515

IUPAC2,2,6,6,8,8-hexamethyl-3,4-dihydrochromene-5,7-dione
SMILESCC1(C)CCC2=C(O1)C(C)(C)C(=O)C(C)(C)C2=O
InChIInChI=1S/C15H22O3/c1-13(2)8-7-9-10(16)14(3,4)12(17)15(5,6)11(9)18-13/h7-8H2,1-6H3
InChIKeyDXRDUNLMDXUNGG-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.03
Rot. Bonds

About 2,2,6,6,8,8-hexamethyl-3,4-dihydrochromene-5,7-dione

2,2,6,6,8,8-hexamethyl-3,4-dihydrochromene-5,7-dione (PubChem CID 155931515) has the molecular formula C15H22O3 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2,2,6,6,8,8-hexamethyl-3,4-dihydrochromene-5,7-dione.

Molecular Properties

Compound Name2,2,6,6,8,8-hexamethyl-3,4-dihydrochromene-5,7-dione
PubChem CID155931515
Molecular FormulaC15H22O3
Molecular Weight250.34 g/mol
Exact Mass250.16
IUPAC Name2,2,6,6,8,8-hexamethyl-3,4-dihydrochromene-5,7-dione
SMILESCC1(C)CCC2=C(O1)C(C)(C)C(=O)C(C)(C)C2=O
InChIInChI=1S/C15H22O3/c1-13(2)8-7-9-10(16)14(3,4)12(17)15(5,6)11(9)18-13/h7-8H2,1-6H3
InChIKeyDXRDUNLMDXUNGG-UHFFFAOYSA-N
XLogP3.03
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

3,3,6,6-Tetramethyl-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione
CID 727017
(2S,4S)-2-ethenyl-6,6,8,8-tetramethyl-2-(4-methylpent-3-enyl)-4-(2-methylpropyl)-3,4-dihydrochromene-5,7-dione
CID 132576368
(2R,4S)-2-ethenyl-6,6,8,8-tetramethyl-2-(4-methylpent-3-enyl)-4-(2-methylpropyl)-3,4-dihydrochromene-5,7-dione
CID 132576369
(2R,4R)-2-ethenyl-6,6,8,8-tetramethyl-2-(4-methylpent-3-enyl)-4-(2-methylpropyl)-3,4-dihydrochromene-5,7-dione
CID 132576374
(2S,4R)-2-ethenyl-6,6,8,8-tetramethyl-2-(4-methylpent-3-enyl)-4-(2-methylpropyl)-3,4-dihydrochromene-5,7-dione
CID 132576375
(1R,4R,7S,11S,12R)-1,5,5,15,15,17,17-heptamethyl-8-methylidene-12-(2-methylpropyl)-19-oxatetracyclo[9.8.0.04,7.013,18]nonadec-13(18)-ene-14,16-dione
CID 137646748
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
2,7,7-Trimethyl-7,8-dihydro-6H-chromene-4,5-dione
CID 788398
Myrtucommulone K
CID 132513185
(1R,4R,7S,11S,12S)-1,5,5,15,15,17,17-heptamethyl-8-methylidene-12-(2-methylpropyl)-19-oxatetracyclo[9.8.0.04,7.013,18]nonadec-13(18)-ene-14,16-dione
CID 137634617
3,3,6,6,8,8-hexamethyl-4H-1,2-benzodioxine-5,7-dione
CID 172450857

Frequently Asked Questions

What is the IUPAC name of 2,2,6,6,8,8-hexamethyl-3,4-dihydrochromene-5,7-dione?
The IUPAC name of 2,2,6,6,8,8-hexamethyl-3,4-dihydrochromene-5,7-dione (CID 155931515) is 2,2,6,6,8,8-hexamethyl-3,4-dihydrochromene-5,7-dione.
What is the SMILES notation for 2,2,6,6,8,8-hexamethyl-3,4-dihydrochromene-5,7-dione?
The canonical SMILES for 2,2,6,6,8,8-hexamethyl-3,4-dihydrochromene-5,7-dione is CC1(C)CCC2=C(O1)C(C)(C)C(=O)C(C)(C)C2=O.
What is the InChIKey of 2,2,6,6,8,8-hexamethyl-3,4-dihydrochromene-5,7-dione?
The InChIKey is DXRDUNLMDXUNGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O3/c1-13(2)8-7-9-10(16)14(3,4)12(17)15(5,6)11(9)18-13/h7-8H2,1-6H3.
What are the key properties of 2,2,6,6,8,8-hexamethyl-3,4-dihydrochromene-5,7-dione?
2,2,6,6,8,8-hexamethyl-3,4-dihydrochromene-5,7-dione has a molecular weight of 250.34 g/mol, XLogP of 3.03, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,6,6,8,8-hexamethyl-3,4-dihydrochromene-5,7-dione is sourced from PubChem (CID 155931515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).