7,7-dimethyl-4-thiophen-2-yl-3,4,6,8-tetrahydrochromene-2,5-dione

C15H16O3S — CID 4918016

IUPAC7,7-dimethyl-4-thiophen-2-yl-3,4,6,8-tetrahydrochromene-2,5-dione
SMILESCC1(C)CC(=O)C2=C(C1)OC(=O)CC2c1cccs1
InChIInChI=1S/C15H16O3S/c1-15(2)7-10(16)14-9(12-4-3-5-19-12)6-13(17)18-11(14)8-15/h3-5,9H,6-8H2,1-2H3
InChIKeyGYKQSBYFQUKPGP-UHFFFAOYSA-N
MW276.36 g/mol
LogP3.42
Rot. Bonds1

About 7,7-dimethyl-4-thiophen-2-yl-3,4,6,8-tetrahydrochromene-2,5-dione

7,7-dimethyl-4-thiophen-2-yl-3,4,6,8-tetrahydrochromene-2,5-dione (PubChem CID 4918016) has the molecular formula C15H16O3S and a molecular weight of 276.36 g/mol. Its IUPAC name is 7,7-dimethyl-4-thiophen-2-yl-3,4,6,8-tetrahydrochromene-2,5-dione.

Molecular Properties

Compound Name7,7-dimethyl-4-thiophen-2-yl-3,4,6,8-tetrahydrochromene-2,5-dione
PubChem CID4918016
Molecular FormulaC15H16O3S
Molecular Weight276.36 g/mol
Exact Mass276.08
IUPAC Name7,7-dimethyl-4-thiophen-2-yl-3,4,6,8-tetrahydrochromene-2,5-dione
SMILESCC1(C)CC(=O)C2=C(C1)OC(=O)CC2c1cccs1
InChIInChI=1S/C15H16O3S/c1-15(2)7-10(16)14-9(12-4-3-5-19-12)6-13(17)18-11(14)8-15/h3-5,9H,6-8H2,1-2H3
InChIKeyGYKQSBYFQUKPGP-UHFFFAOYSA-N
XLogP3.42
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 7,7-dimethyl-4-thiophen-2-yl-3,4,6,8-tetrahydrochromene-2,5-dione with MolForge

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Related Compounds

methyl 2-amino-7,7-dimethyl-5-oxo-4-(thiophen-2-yl)-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate
CID 2889709
2-[(2-Hydroxy-4,4-dimethyl-6-oxo-1-cyclohexen-1-yl)(2-thienyl)methyl]-5,5-dimethyl-1,3-cyclohexanedione
CID 3573522
ethyl 2-amino-7,7-dimethyl-5-oxo-4-(thiophen-2-yl)-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate
CID 3120990
3-Hydroxy-2-((6-hydroxy-4,4-dimethyl-2-oxocyclohex-1-enyl)-2-thienylmethyl)-5,5-dimethylcyclohex-2-en-1-one
CID 4052839
3-Hydroxy-2-[(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)-(5-methylthiophen-2-yl)methyl]-5,5-dimethylcyclohex-2-en-1-one
CID 7071346
2-[(5-Ethylthiophen-2-yl)-(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)methyl]-3-hydroxy-5,5-dimethylcyclohex-2-en-1-one
CID 177249753
3,3,6,6-tetramethyl-9-(thiophen-2-yl)-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
CID 1067921
7,7-Dimethyl-4-(3-methyl-2-thienyl)-4,6,7,8-tetrahydro-2H-chromene-2,5(3H)-dione
CID 4916983
Ethyl 4-oxo-6-thiophen-2-yl-2-(trifluoromethyl)cyclohex-2-ene-1-carboxylate
CID 135049940
3,3,6,6-tetramethyl-9-(3-methylthiophen-2-yl)-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
CID 1146967
9-(thiophen-2-yl)-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
CID 2921090
ethyl 4-(5-ethyl(2-thienyl))-2,7,7-trimethyl-5-oxo-4H-6,7,8-trihydrochromene-3-carboxylate
CID 3879734

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-4-thiophen-2-yl-3,4,6,8-tetrahydrochromene-2,5-dione?
The IUPAC name of 7,7-dimethyl-4-thiophen-2-yl-3,4,6,8-tetrahydrochromene-2,5-dione (CID 4918016) is 7,7-dimethyl-4-thiophen-2-yl-3,4,6,8-tetrahydrochromene-2,5-dione.
What is the SMILES notation for 7,7-dimethyl-4-thiophen-2-yl-3,4,6,8-tetrahydrochromene-2,5-dione?
The canonical SMILES for 7,7-dimethyl-4-thiophen-2-yl-3,4,6,8-tetrahydrochromene-2,5-dione is CC1(C)CC(=O)C2=C(C1)OC(=O)CC2c1cccs1.
What is the InChIKey of 7,7-dimethyl-4-thiophen-2-yl-3,4,6,8-tetrahydrochromene-2,5-dione?
The InChIKey is GYKQSBYFQUKPGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O3S/c1-15(2)7-10(16)14-9(12-4-3-5-19-12)6-13(17)18-11(14)8-15/h3-5,9H,6-8H2,1-2H3.
What are the key properties of 7,7-dimethyl-4-thiophen-2-yl-3,4,6,8-tetrahydrochromene-2,5-dione?
7,7-dimethyl-4-thiophen-2-yl-3,4,6,8-tetrahydrochromene-2,5-dione has a molecular weight of 276.36 g/mol, XLogP of 3.42, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-4-thiophen-2-yl-3,4,6,8-tetrahydrochromene-2,5-dione is sourced from PubChem (CID 4918016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).