6,7-diethyl-3,4-dimethylchromen-2-one;2,2-dimethyl-5,6-di(propan-2-yl)-1,3-benzodioxole;1,2-di(propan-2-yl)benzene;2,3-di(propan-2-yl)-1-benzofuran;2,3-di(propan-2-yl)naphthalene;ethane;methane;2-methyl-5,6-di(propan-2-yl)-1,3-benzothiazole;2-methyl-5,6-di(propan-2-yl)-1,3-benzoxazole;3-methyl-5,6-di(propan-2-yl)-1H-isoindole;3-methyl-5-propan-2-yl-1H-isoindole;2,2,3,3-tetramethyl-6,7-di(propan-2-yl)-1,4-benzodioxine

C175H298N4O8S — CID 157224945

About 6,7-diethyl-3,4-dimethylchromen-2-one;2,2-dimethyl-5,6-di(propan-2-yl)-1,3-benzodioxole;1,2-di(propan-2-yl)benzene;2,3-di(propan-2-yl)-1-benzofuran;2,3-di(propan-2-yl)naphthalene;ethane;methane;2-methyl-5,6-di(propan-2-yl)-1,3-benzothiazole;2-methyl-5,6-di(propan-2-yl)-1,3-benzoxazole;3-methyl-5,6-di(propan-2-yl)-1H-isoindole;3-methyl-5-propan-2-yl-1H-isoindole;2,2,3,3-tetramethyl-6,7-di(propan-2-yl)-1,4-benzodioxine

6,7-diethyl-3,4-dimethylchromen-2-one;2,2-dimethyl-5,6-di(propan-2-yl)-1,3-benzodioxole;1,2-di(propan-2-yl)benzene;2,3-di(propan-2-yl)-1-benzofuran;2,3-di(propan-2-yl)naphthalene;ethane;methane;2-methyl-5,6-di(propan-2-yl)-1,3-benzothiazole;2-methyl-5,6-di(propan-2-yl)-1,3-benzoxazole;3-methyl-5,6-di(propan-2-yl)-1H-isoindole;3-methyl-5-propan-2-yl-1H-isoindole;2,2,3,3-tetramethyl-6,7-di(propan-2-yl)-1,4-benzodioxine (PubChem CID 157224945) has the molecular formula C175H298N4O8S and a molecular weight of 2618.40 g/mol. Its IUPAC name is 6,7-diethyl-3,4-dimethylchromen-2-one;2,2-dimethyl-5,6-di(propan-2-yl)-1,3-benzodioxole;1,2-di(propan-2-yl)benzene;2,3-di(propan-2-yl)-1-benzofuran;2,3-di(propan-2-yl)naphthalene;ethane;methane;2-methyl-5,6-di(propan-2-yl)-1,3-benzothiazole;2-methyl-5,6-di(propan-2-yl)-1,3-benzoxazole;3-methyl-5,6-di(propan-2-yl)-1H-isoindole;3-methyl-5-propan-2-yl-1H-isoindole;2,2,3,3-tetramethyl-6,7-di(propan-2-yl)-1,4-benzodioxine.

Molecular Properties

• Compound Name: 6,7-diethyl-3,4-dimethylchromen-2-one;2,2-dimethyl-5,6-di(propan-2-yl)-1,3-benzodioxole;1,2-di(propan-2-yl)benzene;2,3-di(propan-2-yl)-1-benzofuran;2,3-di(propan-2-yl)naphthalene;ethane;methane;2-methyl-5,6-di(propan-2-yl)-1,3-benzothiazole;2-methyl-5,6-di(propan-2-yl)-1,3-benzoxazole;3-methyl-5,6-di(propan-2-yl)-1H-isoindole;3-methyl-5-propan-2-yl-1H-isoindole;2,2,3,3-tetramethyl-6,7-di(propan-2-yl)-1,4-benzodioxine
• PubChem CID: 157224945
• Molecular Formula: C175H298N4O8S
• Molecular Weight: 2618.40 g/mol
• Exact Mass: 2616.28
• IUPAC Name: 6,7-diethyl-3,4-dimethylchromen-2-one;2,2-dimethyl-5,6-di(propan-2-yl)-1,3-benzodioxole;1,2-di(propan-2-yl)benzene;2,3-di(propan-2-yl)-1-benzofuran;2,3-di(propan-2-yl)naphthalene;ethane;methane;2-methyl-5,6-di(propan-2-yl)-1,3-benzothiazole;2-methyl-5,6-di(propan-2-yl)-1,3-benzoxazole;3-methyl-5,6-di(propan-2-yl)-1H-isoindole;3-methyl-5-propan-2-yl-1H-isoindole;2,2,3,3-tetramethyl-6,7-di(propan-2-yl)-1,4-benzodioxine
• SMILES: C.C.C.C.C.C.C.C.C.C.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)c1cc2c(cc1C(C)C)OC(C)(C)C(C)(C)O2.CC(C)c1cc2c(cc1C(C)C)OC(C)(C)O2.CC(C)c1cc2ccccc2cc1C(C)C.CC(C)c1ccccc1C(C)C.CC(C)c1oc2ccccc2c1C(C)C.CC1=NCc2cc(C(C)C)c(C(C)C)cc21.CC1=NCc2ccc(C(C)C)cc21.CCc1cc2oc(=O)c(C)c(C)c2cc1CC.Cc1nc2cc(C(C)C)c(C(C)C)cc2o1.Cc1nc2cc(C(C)C)c(C(C)C)cc2s1
• InChI: InChI=1S/C18H28O2.C16H20.C15H21N.C15H22O2.C15H18O2.C14H19NO.C14H19NS.C14H18O.C12H15N.C12H18.10C2H6.10CH4/c1-11(2)13-9-15-16(10-14(13)12(3)4)20-18(7,8)17(5,6)19-15;1-11(2)15-9-13-7-5-6-8-14(13)10-16(15)12(3)4;1-9(2)13-6-12-8-16-11(5)15(12)7-14(13)10(3)4;1-9(2)11-7-13-14(8-12(11)10(3)4)17-15(5,6)16-13;1-5-11-7-13-9(3)10(4)15(16)17-14(13)8-12(11)6-2;2*1-8(2)11-6-13-14(16-10(5)15-13)7-12(11)9(3)4;1-9(2)13-11-7-5-6-8-12(11)15-14(13)10(3)4;1-8(2)10-4-5-11-7-13-9(3)12(11)6-10;1-9(2)11-7-5-6-8-12(11)10(3)4;10*1-2;;;;;;;;;;/h9-12H,1-8H3;5-12H,1-4H3;6-7,9-10H,8H2,1-5H3;7-10H,1-6H3;7-8H,5-6H2,1-4H3;2*6-9H,1-5H3;5-10H,1-4H3;4-6,8H,7H2,1-3H3;5-10H,1-4H3;10*1-2H3;10*1H4
• InChIKey: ATKVOSUXYSUNPL-UHFFFAOYSA-N
• XLogP: 60.18
• TPSA: 143.91 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 19
• Heavy Atoms: 188
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2618.40
LogP ≤ 5	60.18
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'cumarine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6,7-diethyl-3,4-dimethylchromen-2-one;2,2-dimethyl-5,6-di(propan-2-yl)-1,3-benzodioxole;1,2-di(propan-2-yl)benzene;2,3-di(propan-2-yl)-1-benzofuran;2,3-di(propan-2-yl)naphthalene;ethane;methane;2-methyl-5,6-di(propan-2-yl)-1,3-benzothiazole;2-methyl-5,6-di(propan-2-yl)-1,3-benzoxazole;3-methyl-5,6-di(propan-2-yl)-1H-isoindole;3-methyl-5-propan-2-yl-1H-isoindole;2,2,3,3-tetramethyl-6,7-di(propan-2-yl)-1,4-benzodioxine?

The IUPAC name of 6,7-diethyl-3,4-dimethylchromen-2-one;2,2-dimethyl-5,6-di(propan-2-yl)-1,3-benzodioxole;1,2-di(propan-2-yl)benzene;2,3-di(propan-2-yl)-1-benzofuran;2,3-di(propan-2-yl)naphthalene;ethane;methane;2-methyl-5,6-di(propan-2-yl)-1,3-benzothiazole;2-methyl-5,6-di(propan-2-yl)-1,3-benzoxazole;3-methyl-5,6-di(propan-2-yl)-1H-isoindole;3-methyl-5-propan-2-yl-1H-isoindole;2,2,3,3-tetramethyl-6,7-di(propan-2-yl)-1,4-benzodioxine (CID 157224945) is 6,7-diethyl-3,4-dimethylchromen-2-one;2,2-dimethyl-5,6-di(propan-2-yl)-1,3-benzodioxole;1,2-di(propan-2-yl)benzene;2,3-di(propan-2-yl)-1-benzofuran;2,3-di(propan-2-yl)naphthalene;ethane;methane;2-methyl-5,6-di(propan-2-yl)-1,3-benzothiazole;2-methyl-5,6-di(propan-2-yl)-1,3-benzoxazole;3-methyl-5,6-di(propan-2-yl)-1H-isoindole;3-methyl-5-propan-2-yl-1H-isoindole;2,2,3,3-tetramethyl-6,7-di(propan-2-yl)-1,4-benzodioxine.

What is the SMILES notation for 6,7-diethyl-3,4-dimethylchromen-2-one;2,2-dimethyl-5,6-di(propan-2-yl)-1,3-benzodioxole;1,2-di(propan-2-yl)benzene;2,3-di(propan-2-yl)-1-benzofuran;2,3-di(propan-2-yl)naphthalene;ethane;methane;2-methyl-5,6-di(propan-2-yl)-1,3-benzothiazole;2-methyl-5,6-di(propan-2-yl)-1,3-benzoxazole;3-methyl-5,6-di(propan-2-yl)-1H-isoindole;3-methyl-5-propan-2-yl-1H-isoindole;2,2,3,3-tetramethyl-6,7-di(propan-2-yl)-1,4-benzodioxine?

The canonical SMILES for 6,7-diethyl-3,4-dimethylchromen-2-one;2,2-dimethyl-5,6-di(propan-2-yl)-1,3-benzodioxole;1,2-di(propan-2-yl)benzene;2,3-di(propan-2-yl)-1-benzofuran;2,3-di(propan-2-yl)naphthalene;ethane;methane;2-methyl-5,6-di(propan-2-yl)-1,3-benzothiazole;2-methyl-5,6-di(propan-2-yl)-1,3-benzoxazole;3-methyl-5,6-di(propan-2-yl)-1H-isoindole;3-methyl-5-propan-2-yl-1H-isoindole;2,2,3,3-tetramethyl-6,7-di(propan-2-yl)-1,4-benzodioxine is C.C.C.C.C.C.C.C.C.C.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)c1cc2c(cc1C(C)C)OC(C)(C)C(C)(C)O2.CC(C)c1cc2c(cc1C(C)C)OC(C)(C)O2.CC(C)c1cc2ccccc2cc1C(C)C.CC(C)c1ccccc1C(C)C.CC(C)c1oc2ccccc2c1C(C)C.CC1=NCc2cc(C(C)C)c(C(C)C)cc21.CC1=NCc2ccc(C(C)C)cc21.CCc1cc2oc(=O)c(C)c(C)c2cc1CC.Cc1nc2cc(C(C)C)c(C(C)C)cc2o1.Cc1nc2cc(C(C)C)c(C(C)C)cc2s1.

What is the InChIKey of 6,7-diethyl-3,4-dimethylchromen-2-one;2,2-dimethyl-5,6-di(propan-2-yl)-1,3-benzodioxole;1,2-di(propan-2-yl)benzene;2,3-di(propan-2-yl)-1-benzofuran;2,3-di(propan-2-yl)naphthalene;ethane;methane;2-methyl-5,6-di(propan-2-yl)-1,3-benzothiazole;2-methyl-5,6-di(propan-2-yl)-1,3-benzoxazole;3-methyl-5,6-di(propan-2-yl)-1H-isoindole;3-methyl-5-propan-2-yl-1H-isoindole;2,2,3,3-tetramethyl-6,7-di(propan-2-yl)-1,4-benzodioxine?

The InChIKey is ATKVOSUXYSUNPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O2.C16H20.C15H21N.C15H22O2.C15H18O2.C14H19NO.C14H19NS.C14H18O.C12H15N.C12H18.10C2H6.10CH4/c1-11(2)13-9-15-16(10-14(13)12(3)4)20-18(7,8)17(5,6)19-15;1-11(2)15-9-13-7-5-6-8-14(13)10-16(15)12(3)4;1-9(2)13-6-12-8-16-11(5)15(12)7-14(13)10(3)4;1-9(2)11-7-13-14(8-12(11)10(3)4)17-15(5,6)16-13;1-5-11-7-13-9(3)10(4)15(16)17-14(13)8-12(11)6-2;2*1-8(2)11-6-13-14(16-10(5)15-13)7-12(11)9(3)4;1-9(2)13-11-7-5-6-8-12(11)15-14(13)10(3)4;1-8(2)10-4-5-11-7-13-9(3)12(11)6-10;1-9(2)11-7-5-6-8-12(11)10(3)4;10*1-2;;;;;;;;;;/h9-12H,1-8H3;5-12H,1-4H3;6-7,9-10H,8H2,1-5H3;7-10H,1-6H3;7-8H,5-6H2,1-4H3;2*6-9H,1-5H3;5-10H,1-4H3;4-6,8H,7H2,1-3H3;5-10H,1-4H3;10*1-2H3;10*1H4.

What are the key properties of 6,7-diethyl-3,4-dimethylchromen-2-one;2,2-dimethyl-5,6-di(propan-2-yl)-1,3-benzodioxole;1,2-di(propan-2-yl)benzene;2,3-di(propan-2-yl)-1-benzofuran;2,3-di(propan-2-yl)naphthalene;ethane;methane;2-methyl-5,6-di(propan-2-yl)-1,3-benzothiazole;2-methyl-5,6-di(propan-2-yl)-1,3-benzoxazole;3-methyl-5,6-di(propan-2-yl)-1H-isoindole;3-methyl-5-propan-2-yl-1H-isoindole;2,2,3,3-tetramethyl-6,7-di(propan-2-yl)-1,4-benzodioxine?

6,7-diethyl-3,4-dimethylchromen-2-one;2,2-dimethyl-5,6-di(propan-2-yl)-1,3-benzodioxole;1,2-di(propan-2-yl)benzene;2,3-di(propan-2-yl)-1-benzofuran;2,3-di(propan-2-yl)naphthalene;ethane;methane;2-methyl-5,6-di(propan-2-yl)-1,3-benzothiazole;2-methyl-5,6-di(propan-2-yl)-1,3-benzoxazole;3-methyl-5,6-di(propan-2-yl)-1H-isoindole;3-methyl-5-propan-2-yl-1H-isoindole;2,2,3,3-tetramethyl-6,7-di(propan-2-yl)-1,4-benzodioxine has a molecular weight of 2618.40 g/mol, XLogP of 60.18, 19 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 6,7-diethyl-3,4-dimethylchromen-2-one;2,2-dimethyl-5,6-di(propan-2-yl)-1,3-benzodioxole;1,2-di(propan-2-yl)benzene;2,3-di(propan-2-yl)-1-benzofuran;2,3-di(propan-2-yl)naphthalene;ethane;methane;2-methyl-5,6-di(propan-2-yl)-1,3-benzothiazole;2-methyl-5,6-di(propan-2-yl)-1,3-benzoxazole;3-methyl-5,6-di(propan-2-yl)-1H-isoindole;3-methyl-5-propan-2-yl-1H-isoindole;2,2,3,3-tetramethyl-6,7-di(propan-2-yl)-1,4-benzodioxine is sourced from PubChem (CID 157224945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).