6,7-diethyl-3,4-dimethylchromen-2-one;2,2-dimethyl-4,5-di(propan-2-yl)-1,3-benzodioxole;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)-1-benzothiophene;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-4,5-di(propan-2-yl)-1,2-benzoxazole;3-methyl-5,6-di(propan-2-yl)-1,2-benzoxazole;3-methyl-4,5-di(propan-2-yl)-1H-isoindole;3-methyl-5,6-di(propan-2-yl)-1H-isoindole;2,2,3,3-tetramethyl-6,7-di(propan-2-yl)-1,4-benzodioxine

C246H418N6O12S2 — CID 158843130

About 6,7-diethyl-3,4-dimethylchromen-2-one;2,2-dimethyl-4,5-di(propan-2-yl)-1,3-benzodioxole;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)-1-benzothiophene;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-4,5-di(propan-2-yl)-1,2-benzoxazole;3-methyl-5,6-di(propan-2-yl)-1,2-benzoxazole;3-methyl-4,5-di(propan-2-yl)-1H-isoindole;3-methyl-5,6-di(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-4,5-di(propan-2-yl)-1,3-benzodioxole;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)-1-benzothiophene;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-4,5-di(propan-2-yl)-1,2-benzoxazole;3-methyl-5,6-di(propan-2-yl)-1,2-benzoxazole;3-methyl-4,5-di(propan-2-yl)-1H-isoindole;3-methyl-5,6-di(propan-2-yl)-1H-isoindole;2,2,3,3-tetramethyl-6,7-di(propan-2-yl)-1,4-benzodioxine (PubChem CID 158843130) has the molecular formula C246H418N6O12S2 and a molecular weight of 3716.21 g/mol. Its IUPAC name is 6,7-diethyl-3,4-dimethylchromen-2-one;2,2-dimethyl-4,5-di(propan-2-yl)-1,3-benzodioxole;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)-1-benzothiophene;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-4,5-di(propan-2-yl)-1,2-benzoxazole;3-methyl-5,6-di(propan-2-yl)-1,2-benzoxazole;3-methyl-4,5-di(propan-2-yl)-1H-isoindole;3-methyl-5,6-di(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-4,5-di(propan-2-yl)-1,3-benzodioxole;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)-1-benzothiophene;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-4,5-di(propan-2-yl)-1,2-benzoxazole;3-methyl-5,6-di(propan-2-yl)-1,2-benzoxazole;3-methyl-4,5-di(propan-2-yl)-1H-isoindole;3-methyl-5,6-di(propan-2-yl)-1H-isoindole;2,2,3,3-tetramethyl-6,7-di(propan-2-yl)-1,4-benzodioxine
• PubChem CID: 158843130
• Molecular Formula: C246H418N6O12S2
• Molecular Weight: 3716.21 g/mol
• Exact Mass: 3713.17
• IUPAC Name: 6,7-diethyl-3,4-dimethylchromen-2-one;2,2-dimethyl-4,5-di(propan-2-yl)-1,3-benzodioxole;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)-1-benzothiophene;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-4,5-di(propan-2-yl)-1,2-benzoxazole;3-methyl-5,6-di(propan-2-yl)-1,2-benzoxazole;3-methyl-4,5-di(propan-2-yl)-1H-isoindole;3-methyl-5,6-di(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.C.C.C.CC.CC.CC.CC.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)c1ccc2c(c1C(C)C)OC(C)(C)O2.CC(C)c1ccccc1C(C)C.CC(C)c1oc2ccccc2c1C(C)C.CC(C)c1sc2ccccc2c1C(C)C.CC1=NCc2cc(C(C)C)c(C(C)C)cc21.CC1=NCc2ccc(C(C)C)c(C(C)C)c21.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.Cc1noc2cc(C(C)C)c(C(C)C)cc12.Cc1noc2ccc(C(C)C)c(C(C)C)c12
• InChI: InChI=1S/C18H28O2.C16H20.2C15H21N.2C15H22O2.C15H18O2.3C14H19NO.C14H19NS.C14H18O.C14H18S.C12H18.14C2H6.13CH4/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)13-7-6-12-8-16-11(5)15(12)14(13)10(3)4;1-9(2)11-7-13-14(8-12(11)10(3)4)17-15(5,6)16-13;1-9(2)11-7-8-12-14(13(11)10(3)4)17-15(5,6)16-12;1-5-11-7-13-9(3)10(4)15(16)17-14(13)8-12(11)6-2;1-8(2)11-6-13-14(16-10(5)15-13)7-12(11)9(3)4;1-8(2)11-6-13-10(5)15-16-14(13)7-12(11)9(3)4;1-8(2)11-6-7-12-14(10(5)15-16-12)13(11)9(3)4;1-8(2)11-6-13-14(16-10(5)15-13)7-12(11)9(3)4;2*1-9(2)13-11-7-5-6-8-12(11)15-14(13)10(3)4;1-9(2)11-7-5-6-8-12(11)10(3)4;14*1-2;;;;;;;;;;;;;/h9-12H,1-8H3;5-12H,1-4H3;2*6-7,9-10H,8H2,1-5H3;2*7-10H,1-6H3;7-8H,5-6H2,1-4H3;4*6-9H,1-5H3;2*5-10H,1-4H3;5-10H,1-4H3;14*1-2H3;13*1H4
• InChIKey: IYMPMWVXPAXCJS-UHFFFAOYSA-N
• XLogP: 85.67
• TPSA: 214.43 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 28
• Heavy Atoms: 266
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3716.21
LogP ≤ 5	85.67
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

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-4,5-di(propan-2-yl)-1,3-benzodioxole;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)-1-benzothiophene;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-4,5-di(propan-2-yl)-1,2-benzoxazole;3-methyl-5,6-di(propan-2-yl)-1,2-benzoxazole;3-methyl-4,5-di(propan-2-yl)-1H-isoindole;3-methyl-5,6-di(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-4,5-di(propan-2-yl)-1,3-benzodioxole;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)-1-benzothiophene;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-4,5-di(propan-2-yl)-1,2-benzoxazole;3-methyl-5,6-di(propan-2-yl)-1,2-benzoxazole;3-methyl-4,5-di(propan-2-yl)-1H-isoindole;3-methyl-5,6-di(propan-2-yl)-1H-isoindole;2,2,3,3-tetramethyl-6,7-di(propan-2-yl)-1,4-benzodioxine (CID 158843130) is 6,7-diethyl-3,4-dimethylchromen-2-one;2,2-dimethyl-4,5-di(propan-2-yl)-1,3-benzodioxole;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)-1-benzothiophene;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-4,5-di(propan-2-yl)-1,2-benzoxazole;3-methyl-5,6-di(propan-2-yl)-1,2-benzoxazole;3-methyl-4,5-di(propan-2-yl)-1H-isoindole;3-methyl-5,6-di(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-4,5-di(propan-2-yl)-1,3-benzodioxole;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)-1-benzothiophene;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-4,5-di(propan-2-yl)-1,2-benzoxazole;3-methyl-5,6-di(propan-2-yl)-1,2-benzoxazole;3-methyl-4,5-di(propan-2-yl)-1H-isoindole;3-methyl-5,6-di(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-4,5-di(propan-2-yl)-1,3-benzodioxole;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)-1-benzothiophene;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-4,5-di(propan-2-yl)-1,2-benzoxazole;3-methyl-5,6-di(propan-2-yl)-1,2-benzoxazole;3-methyl-4,5-di(propan-2-yl)-1H-isoindole;3-methyl-5,6-di(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.C.C.C.CC.CC.CC.CC.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)c1ccc2c(c1C(C)C)OC(C)(C)O2.CC(C)c1ccccc1C(C)C.CC(C)c1oc2ccccc2c1C(C)C.CC(C)c1sc2ccccc2c1C(C)C.CC1=NCc2cc(C(C)C)c(C(C)C)cc21.CC1=NCc2ccc(C(C)C)c(C(C)C)c21.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.Cc1noc2cc(C(C)C)c(C(C)C)cc12.Cc1noc2ccc(C(C)C)c(C(C)C)c12.

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

The InChIKey is IYMPMWVXPAXCJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O2.C16H20.2C15H21N.2C15H22O2.C15H18O2.3C14H19NO.C14H19NS.C14H18O.C14H18S.C12H18.14C2H6.13CH4/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)13-7-6-12-8-16-11(5)15(12)14(13)10(3)4;1-9(2)11-7-13-14(8-12(11)10(3)4)17-15(5,6)16-13;1-9(2)11-7-8-12-14(13(11)10(3)4)17-15(5,6)16-12;1-5-11-7-13-9(3)10(4)15(16)17-14(13)8-12(11)6-2;1-8(2)11-6-13-14(16-10(5)15-13)7-12(11)9(3)4;1-8(2)11-6-13-10(5)15-16-14(13)7-12(11)9(3)4;1-8(2)11-6-7-12-14(10(5)15-16-12)13(11)9(3)4;1-8(2)11-6-13-14(16-10(5)15-13)7-12(11)9(3)4;2*1-9(2)13-11-7-5-6-8-12(11)15-14(13)10(3)4;1-9(2)11-7-5-6-8-12(11)10(3)4;14*1-2;;;;;;;;;;;;;/h9-12H,1-8H3;5-12H,1-4H3;2*6-7,9-10H,8H2,1-5H3;2*7-10H,1-6H3;7-8H,5-6H2,1-4H3;4*6-9H,1-5H3;2*5-10H,1-4H3;5-10H,1-4H3;14*1-2H3;13*1H4.

What are the key properties of 6,7-diethyl-3,4-dimethylchromen-2-one;2,2-dimethyl-4,5-di(propan-2-yl)-1,3-benzodioxole;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)-1-benzothiophene;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-4,5-di(propan-2-yl)-1,2-benzoxazole;3-methyl-5,6-di(propan-2-yl)-1,2-benzoxazole;3-methyl-4,5-di(propan-2-yl)-1H-isoindole;3-methyl-5,6-di(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-4,5-di(propan-2-yl)-1,3-benzodioxole;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)-1-benzothiophene;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-4,5-di(propan-2-yl)-1,2-benzoxazole;3-methyl-5,6-di(propan-2-yl)-1,2-benzoxazole;3-methyl-4,5-di(propan-2-yl)-1H-isoindole;3-methyl-5,6-di(propan-2-yl)-1H-isoindole;2,2,3,3-tetramethyl-6,7-di(propan-2-yl)-1,4-benzodioxine has a molecular weight of 3716.21 g/mol, XLogP of 85.67, 28 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 6,7-diethyl-3,4-dimethylchromen-2-one;2,2-dimethyl-4,5-di(propan-2-yl)-1,3-benzodioxole;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)-1-benzothiophene;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-4,5-di(propan-2-yl)-1,2-benzoxazole;3-methyl-5,6-di(propan-2-yl)-1,2-benzoxazole;3-methyl-4,5-di(propan-2-yl)-1H-isoindole;3-methyl-5,6-di(propan-2-yl)-1H-isoindole;2,2,3,3-tetramethyl-6,7-di(propan-2-yl)-1,4-benzodioxine is sourced from PubChem (CID 158843130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).