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

C272H427N11O10S5 — CID 158395502

IUPAC6,7-diethyl-3,4-dimethylchromen-2-one;2,3-dimethyl-2,3-di(propan-2-yl)-1,4-benzodioxine;2,3-dimethyl-5,6-di(propan-2-yl)-1-benzothiophene;2,3-dimethyl-6,7-di(propan-2-yl)-1-benzothiophene;2,3-di(propan-2-yl)-1-benzothiophene;4,5-di(propan-2-yl)-2H-benzotriazole;5,6-di(propan-2-yl)-2H-benzotriazole;1,2-di(propan-2-yl)naphthalene;2,3-di(propan-2-yl)naphthalene;ethane;2-methyl-4,5-di(propan-2-yl)-1,3-benzothiazole;2-methyl-5,6-di(propan-2-yl)-1,3-benzothiazole;2-methyl-4,5-di(propan-2-yl)-1,3-benzoxazole;2-methyl-5,6-di(propan-2-yl)-1,3-benzoxazole;3-methyl-4,5-di(propan-2-yl)-1H-isoindole;2,2,3,3-tetramethyl-5,6-di(propan-2-yl)-1,4-benzodioxine;2,2,3,3-tetramethyl-6,7-di(propan-2-yl)-1,4-benzodioxine
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)C1(C)Oc2ccccc2OC1(C)C(C)C.CC(C)c1cc2c(cc1C(C)C)OC(C)(C)C(C)(C)O2.CC(C)c1cc2ccccc2cc1C(C)C.CC(C)c1cc2n[nH]nc2cc1C(C)C.CC(C)c1ccc2c(c1C(C)C)OC(C)(C)C(C)(C)O2.CC(C)c1ccc2ccccc2c1C(C)C.CC(C)c1ccc2n[nH]nc2c1C(C)C.CC(C)c1sc2ccccc2c1C(C)C.CC1=NCc2ccc(C(C)C)c(C(C)C)c21.CCc1cc2oc(=O)c(C)c(C)c2cc1CC.Cc1nc2c(C(C)C)c(C(C)C)ccc2o1.Cc1nc2c(C(C)C)c(C(C)C)ccc2s1.Cc1nc2cc(C(C)C)c(C(C)C)cc2o1.Cc1nc2cc(C(C)C)c(C(C)C)cc2s1.Cc1sc2c(C(C)C)c(C(C)C)ccc2c1C.Cc1sc2cc(C(C)C)c(C(C)C)cc2c1C
InChIInChI=1S/2C18H28O2.C16H24O2.2C16H22S.2C16H20.C15H21N.C15H18O2.2C14H19NO.2C14H19NS.C14H18S.2C12H17N3.16C2H6/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)13-9-10-14-16(15(13)12(3)4)20-18(7,8)17(5,6)19-14;1-11(2)15(5)16(6,12(3)4)18-14-10-8-7-9-13(14)17-15;1-9(2)13-7-15-11(5)12(6)17-16(15)8-14(13)10(3)4;1-9(2)13-7-8-14-11(5)12(6)17-16(14)15(13)10(3)4;1-11(2)15-9-13-7-5-6-8-14(13)10-16(15)12(3)4;1-11(2)14-10-9-13-7-5-6-8-15(13)16(14)12(3)4;1-9(2)13-7-6-12-8-16-11(5)15(12)14(13)10(3)4;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)11-6-7-12-14(13(11)9(3)4)15-10(5)16-12;1-8(2)11-6-13-14(16-10(5)15-13)7-12(11)9(3)4;1-8(2)11-6-7-12-14(13(11)9(3)4)15-10(5)16-12;1-9(2)13-11-7-5-6-8-12(11)15-14(13)10(3)4;1-7(2)9-5-11-12(14-15-13-11)6-10(9)8(3)4;1-7(2)9-5-6-10-12(14-15-13-10)11(9)8(3)4;16*1-2/h2*9-12H,1-8H3;7-12H,1-6H3;2*7-10H,1-6H3;2*5-12H,1-4H3;6-7,9-10H,8H2,1-5H3;7-8H,5-6H2,1-4H3;4*6-9H,1-5H3;5-10H,1-4H3;2*5-8H,1-4H3,(H,13,14,15);16*1-2H3
InChIKeyGXMNESBOUYYGCJ-UHFFFAOYSA-N
MW4171.81 g/mol
LogP90.75
Rot. Bonds32

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

6,7-diethyl-3,4-dimethylchromen-2-one;2,3-dimethyl-2,3-di(propan-2-yl)-1,4-benzodioxine;2,3-dimethyl-5,6-di(propan-2-yl)-1-benzothiophene;2,3-dimethyl-6,7-di(propan-2-yl)-1-benzothiophene;2,3-di(propan-2-yl)-1-benzothiophene;4,5-di(propan-2-yl)-2H-benzotriazole;5,6-di(propan-2-yl)-2H-benzotriazole;1,2-di(propan-2-yl)naphthalene;2,3-di(propan-2-yl)naphthalene;ethane;2-methyl-4,5-di(propan-2-yl)-1,3-benzothiazole;2-methyl-5,6-di(propan-2-yl)-1,3-benzothiazole;2-methyl-4,5-di(propan-2-yl)-1,3-benzoxazole;2-methyl-5,6-di(propan-2-yl)-1,3-benzoxazole;3-methyl-4,5-di(propan-2-yl)-1H-isoindole;2,2,3,3-tetramethyl-5,6-di(propan-2-yl)-1,4-benzodioxine;2,2,3,3-tetramethyl-6,7-di(propan-2-yl)-1,4-benzodioxine (PubChem CID 158395502) has the molecular formula C272H427N11O10S5 and a molecular weight of 4171.81 g/mol. Its IUPAC name is 6,7-diethyl-3,4-dimethylchromen-2-one;2,3-dimethyl-2,3-di(propan-2-yl)-1,4-benzodioxine;2,3-dimethyl-5,6-di(propan-2-yl)-1-benzothiophene;2,3-dimethyl-6,7-di(propan-2-yl)-1-benzothiophene;2,3-di(propan-2-yl)-1-benzothiophene;4,5-di(propan-2-yl)-2H-benzotriazole;5,6-di(propan-2-yl)-2H-benzotriazole;1,2-di(propan-2-yl)naphthalene;2,3-di(propan-2-yl)naphthalene;ethane;2-methyl-4,5-di(propan-2-yl)-1,3-benzothiazole;2-methyl-5,6-di(propan-2-yl)-1,3-benzothiazole;2-methyl-4,5-di(propan-2-yl)-1,3-benzoxazole;2-methyl-5,6-di(propan-2-yl)-1,3-benzoxazole;3-methyl-4,5-di(propan-2-yl)-1H-isoindole;2,2,3,3-tetramethyl-5,6-di(propan-2-yl)-1,4-benzodioxine;2,2,3,3-tetramethyl-6,7-di(propan-2-yl)-1,4-benzodioxine.

Molecular Properties

Compound Name6,7-diethyl-3,4-dimethylchromen-2-one;2,3-dimethyl-2,3-di(propan-2-yl)-1,4-benzodioxine;2,3-dimethyl-5,6-di(propan-2-yl)-1-benzothiophene;2,3-dimethyl-6,7-di(propan-2-yl)-1-benzothiophene;2,3-di(propan-2-yl)-1-benzothiophene;4,5-di(propan-2-yl)-2H-benzotriazole;5,6-di(propan-2-yl)-2H-benzotriazole;1,2-di(propan-2-yl)naphthalene;2,3-di(propan-2-yl)naphthalene;ethane;2-methyl-4,5-di(propan-2-yl)-1,3-benzothiazole;2-methyl-5,6-di(propan-2-yl)-1,3-benzothiazole;2-methyl-4,5-di(propan-2-yl)-1,3-benzoxazole;2-methyl-5,6-di(propan-2-yl)-1,3-benzoxazole;3-methyl-4,5-di(propan-2-yl)-1H-isoindole;2,2,3,3-tetramethyl-5,6-di(propan-2-yl)-1,4-benzodioxine;2,2,3,3-tetramethyl-6,7-di(propan-2-yl)-1,4-benzodioxine
PubChem CID158395502
Molecular FormulaC272H427N11O10S5
Molecular Weight4171.81 g/mol
Exact Mass4168.18
IUPAC Name6,7-diethyl-3,4-dimethylchromen-2-one;2,3-dimethyl-2,3-di(propan-2-yl)-1,4-benzodioxine;2,3-dimethyl-5,6-di(propan-2-yl)-1-benzothiophene;2,3-dimethyl-6,7-di(propan-2-yl)-1-benzothiophene;2,3-di(propan-2-yl)-1-benzothiophene;4,5-di(propan-2-yl)-2H-benzotriazole;5,6-di(propan-2-yl)-2H-benzotriazole;1,2-di(propan-2-yl)naphthalene;2,3-di(propan-2-yl)naphthalene;ethane;2-methyl-4,5-di(propan-2-yl)-1,3-benzothiazole;2-methyl-5,6-di(propan-2-yl)-1,3-benzothiazole;2-methyl-4,5-di(propan-2-yl)-1,3-benzoxazole;2-methyl-5,6-di(propan-2-yl)-1,3-benzoxazole;3-methyl-4,5-di(propan-2-yl)-1H-isoindole;2,2,3,3-tetramethyl-5,6-di(propan-2-yl)-1,4-benzodioxine;2,2,3,3-tetramethyl-6,7-di(propan-2-yl)-1,4-benzodioxine
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)C1(C)Oc2ccccc2OC1(C)C(C)C.CC(C)c1cc2c(cc1C(C)C)OC(C)(C)C(C)(C)O2.CC(C)c1cc2ccccc2cc1C(C)C.CC(C)c1cc2n[nH]nc2cc1C(C)C.CC(C)c1ccc2c(c1C(C)C)OC(C)(C)C(C)(C)O2.CC(C)c1ccc2ccccc2c1C(C)C.CC(C)c1ccc2n[nH]nc2c1C(C)C.CC(C)c1sc2ccccc2c1C(C)C.CC1=NCc2ccc(C(C)C)c(C(C)C)c21.CCc1cc2oc(=O)c(C)c(C)c2cc1CC.Cc1nc2c(C(C)C)c(C(C)C)ccc2o1.Cc1nc2c(C(C)C)c(C(C)C)ccc2s1.Cc1nc2cc(C(C)C)c(C(C)C)cc2o1.Cc1nc2cc(C(C)C)c(C(C)C)cc2s1.Cc1sc2c(C(C)C)c(C(C)C)ccc2c1C.Cc1sc2cc(C(C)C)c(C(C)C)cc2c1C
InChIInChI=1S/2C18H28O2.C16H24O2.2C16H22S.2C16H20.C15H21N.C15H18O2.2C14H19NO.2C14H19NS.C14H18S.2C12H17N3.16C2H6/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)13-9-10-14-16(15(13)12(3)4)20-18(7,8)17(5,6)19-14;1-11(2)15(5)16(6,12(3)4)18-14-10-8-7-9-13(14)17-15;1-9(2)13-7-15-11(5)12(6)17-16(15)8-14(13)10(3)4;1-9(2)13-7-8-14-11(5)12(6)17-16(14)15(13)10(3)4;1-11(2)15-9-13-7-5-6-8-14(13)10-16(15)12(3)4;1-11(2)14-10-9-13-7-5-6-8-15(13)16(14)12(3)4;1-9(2)13-7-6-12-8-16-11(5)15(12)14(13)10(3)4;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)11-6-7-12-14(13(11)9(3)4)15-10(5)16-12;1-8(2)11-6-13-14(16-10(5)15-13)7-12(11)9(3)4;1-8(2)11-6-7-12-14(13(11)9(3)4)15-10(5)16-12;1-9(2)13-11-7-5-6-8-12(11)15-14(13)10(3)4;1-7(2)9-5-11-12(14-15-13-11)6-10(9)8(3)4;1-7(2)9-5-6-10-12(14-15-13-10)11(9)8(3)4;16*1-2/h2*9-12H,1-8H3;7-12H,1-6H3;2*7-10H,1-6H3;2*5-12H,1-4H3;6-7,9-10H,8H2,1-5H3;7-8H,5-6H2,1-4H3;4*6-9H,1-5H3;5-10H,1-4H3;2*5-8H,1-4H3,(H,13,14,15);16*1-2H3
InChIKeyGXMNESBOUYYGCJ-UHFFFAOYSA-N
XLogP90.75
TPSA258.93 Ų
H-Bond Donors2
H-Bond Acceptors24
Rotatable Bonds32
Heavy Atoms298
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004171.81
LogP ≤ 590.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1024

Analyze 6,7-diethyl-3,4-dimethylchromen-2-one;2,3-dimethyl-2,3-di(propan-2-yl)-1,4-benzodioxine;2,3-dimethyl-5,6-di(propan-2-yl)-1-benzothiophene;2,3-dimethyl-6,7-di(propan-2-yl)-1-benzothiophene;2,3-di(propan-2-yl)-1-benzothiophene;4,5-di(propan-2-yl)-2H-benzotriazole;5,6-di(propan-2-yl)-2H-benzotriazole;1,2-di(propan-2-yl)naphthalene;2,3-di(propan-2-yl)naphthalene;ethane;2-methyl-4,5-di(propan-2-yl)-1,3-benzothiazole;2-methyl-5,6-di(propan-2-yl)-1,3-benzothiazole;2-methyl-4,5-di(propan-2-yl)-1,3-benzoxazole;2-methyl-5,6-di(propan-2-yl)-1,3-benzoxazole;3-methyl-4,5-di(propan-2-yl)-1H-isoindole;2,2,3,3-tetramethyl-5,6-di(propan-2-yl)-1,4-benzodioxine;2,2,3,3-tetramethyl-6,7-di(propan-2-yl)-1,4-benzodioxine with MolForge

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Related Compounds

2-[6-(5,6-Dimethyl-1,3-benzothiazol-2-yl)-1,5-dimethylanthracen-2-yl]-5,6-dimethyl-1,3-benzothiazole;2-[6-(5,6-dimethyl-1,3-benzoxazol-2-yl)-1,5-dimethylnaphthalen-2-yl]-5,6-dimethyl-1,3-benzoxazole;2-[6-(5,7-dimethyl-1,3-benzoxazol-2-yl)-1,5-dimethylnaphthalen-2-yl]-5,7-dimethyl-1,3-benzoxazole;2-[9,10-dimethyl-6-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]anthracen-2-yl]-6-(trifluoromethyl)-1,3-benzothiazole;2-[1,5-dimethyl-6-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]naphthalen-2-yl]-6-(trifluoromethyl)-1,3-benzoxazole;2-[4,8-dimethyl-6-[6-(trifluoromethyl)-1,3-benzoxazol-2-yl]naphthalen-2-yl]-6-(trifluoromethyl)-1,3-benzoxazole;2-[6-(5,7-diphenyl-1,3-benzoxazol-2-yl)naphthalen-2-yl]-5,7-diphenyl-1,3-benzoxazole;6-phenyl-2-[6-(6-phenyl-1,3-benzothiazol-2-yl)naphthalen-2-yl]-1,3-benzoxazole
CID 162096067
2-[6-(5,6-Dimethyl-1,3-benzothiazol-2-yl)-4,8-dimethylnaphthalen-2-yl]-5,6-dimethyl-1,3-benzothiazole;2-[6-(5,7-dimethyl-1,3-benzothiazol-2-yl)-1,5-dimethylnaphthalen-2-yl]-5,7-dimethyl-1,3-benzothiazole;2-[6-(5,6-dimethyl-1,3-benzothiazol-2-yl)-1,5-diphenylnaphthalen-2-yl]-5,6-dimethyl-1,3-benzoxazole;2-[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2,5-dimethylphenyl]-5,6-dimethyl-1,3-benzoxazole;2-[4,8-dimethyl-6-(6-methyl-1,3-benzothiazol-2-yl)naphthalen-2-yl]-6-methyl-1,3-benzoxazole;2-[2,5-diphenyl-4-(5-phenyl-1,3-benzoxazol-2-yl)phenyl]-5-phenyl-1,3-benzoxazole;6-methyl-2-[6-(6-methyl-1,3-benzothiazol-2-yl)-1,5-diphenylnaphthalen-2-yl]-1,3-benzothiazole;6-phenyl-2-[1,4,5,8-tetramethyl-6-(6-phenyl-1,3-benzothiazol-2-yl)naphthalen-2-yl]-1,3-benzothiazole
CID 157162027
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
benzene;3H-1-benzofuran-2-one;2H-benzotriazole;2,2-dimethyl-1,3-benzodioxole;2,3-dimethyl-1-benzofuran;2,3-dimethyl-1-benzothiophene;3,4-dimethylchromen-2-one;ethane;1,1,2,2,3,3-hexamethylindene;methane;2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;3-methyl-1,2-benzoxazole;3-methyl-1H-isoindole;naphthalene;2,2,3,3-tetramethyl-1,4-benzodioxine;2,2,3,3-tetramethyl-1-benzofuran
CID 157236388
CID 157392325
CID 157392325
4,7-Dimethyl-1,3-benzodioxole;4,7-dimethyl-2,1,3-benzothiadiazole;bis(2,5-dimethyl-1,3-benzothiazole);bis(4,7-dimethyl-1,3-benzothiazole);bis(2,5-dimethyl-1,3-benzoxazole);5,8-dimethyl-2,3-dihydro-1,4-benzodioxine;bis(5,8-dimethylquinoline);ethane;bis(2,3,5,6-tetramethylthieno[3,2-b]furan);bis(2,3,5,6-tetramethylthieno[3,2-b]thiophene)
CID 157417458
benzene;3H-1-benzofuran-2-one;2H-benzotriazole;2,2-dimethyl-1,3-benzodioxole;2,3-dimethyl-1-benzofuran;2,3-dimethyl-1-benzothiophene;3,4-dimethylchromen-2-one;ethane;1,1,2,2,3,3-hexamethylindene;2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;3-methyl-1,2-benzoxazole;3-methyl-1H-isoindole;naphthalene;2,2,3,3-tetramethyl-1,4-benzodioxine;2,2,3,3-tetramethyl-1-benzofuran
CID 157678664
7-benzo[e]benzotriazol-2-yl-3-phenylchromen-2-one;2-[4-(1,3-benzoxazol-2-yl)naphthalen-1-yl]-1,3-benzoxazole;2-[4-[(E)-2-[4-(1,3-benzoxazol-2-yl)phenyl]ethenyl]phenyl]-5-methyl-1,3-benzoxazole;5-tert-butyl-2-[5-(5-tert-butyl-1,3-benzoxazol-2-yl)thiophen-2-yl]-1,3-benzoxazole
CID 157816333
2,5-dimethyl-1-benzofuran;2,6-dimethyl-1-benzofuran;2,5-dimethyl-1,3-benzothiazole;2,5-dimethyl-1-benzothiophene;2,6-dimethyl-1-benzothiophene;2,5-dimethyl-1,3-benzoxazole;2,6-dimethyl-1,3-benzoxazole;bis(2,5-dimethyl-1H-indene);bis(2,6-dimethyl-1H-indene);bis(2,6-dimethyl-3H-indole)
CID 158002901
2-(4,4-Dimethylcyclohexyl)-6-methyl-1,3-benzothiazole;2-(4,4-dimethylcyclohexyl)-6-methyl-1,3-benzoxazole;2-methyl-4,5-diphenyl-1,3-oxazole;2-methylphenanthro[9,10-d][1,3]oxazole;2-methylphenanthro[9,10-d][1,3]thiazole
CID 158731918
4,7-Dimethyl-1,3-benzodioxole;4,7-dimethyl-2,1,3-benzothiadiazole;bis(2,5-dimethyl-1,3-benzothiazole);bis(4,7-dimethyl-1,3-benzothiazole);2,5-dimethyl-1-benzothiophene;2,6-dimethyl-1-benzothiophene;bis(2,5-dimethyl-1,3-benzoxazole);4,7-dimethyl-1,3-benzoxazole;5,8-dimethyl-2,3-dihydro-1,4-benzodioxine;bis(5,8-dimethylquinoline);ethane;methane;bis(2,3,5,6-tetramethylthieno[3,2-b]furan);bis(2,3,5,6-tetramethylthieno[3,2-b]thiophene)
CID 158756566
benzene;3H-1-benzofuran-2-one;2H-benzotriazole;2,2-dimethyl-1,3-benzodioxole;2,3-dimethyl-1-benzofuran;2,3-dimethyl-1-benzothiophene;3,4-dimethylchromen-2-one;ethane;1,1,2,2,3,3-hexamethylindene;methane;2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;3-methyl-1,2-benzoxazole;3-methyl-1H-isoindole;naphthalene;2,2,3,3-tetramethyl-1,4-benzodioxine;2,2,3,3-tetramethyl-1-benzofuran
CID 158773628

Frequently Asked Questions

What is the IUPAC name of 6,7-diethyl-3,4-dimethylchromen-2-one;2,3-dimethyl-2,3-di(propan-2-yl)-1,4-benzodioxine;2,3-dimethyl-5,6-di(propan-2-yl)-1-benzothiophene;2,3-dimethyl-6,7-di(propan-2-yl)-1-benzothiophene;2,3-di(propan-2-yl)-1-benzothiophene;4,5-di(propan-2-yl)-2H-benzotriazole;5,6-di(propan-2-yl)-2H-benzotriazole;1,2-di(propan-2-yl)naphthalene;2,3-di(propan-2-yl)naphthalene;ethane;2-methyl-4,5-di(propan-2-yl)-1,3-benzothiazole;2-methyl-5,6-di(propan-2-yl)-1,3-benzothiazole;2-methyl-4,5-di(propan-2-yl)-1,3-benzoxazole;2-methyl-5,6-di(propan-2-yl)-1,3-benzoxazole;3-methyl-4,5-di(propan-2-yl)-1H-isoindole;2,2,3,3-tetramethyl-5,6-di(propan-2-yl)-1,4-benzodioxine;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;2,3-dimethyl-2,3-di(propan-2-yl)-1,4-benzodioxine;2,3-dimethyl-5,6-di(propan-2-yl)-1-benzothiophene;2,3-dimethyl-6,7-di(propan-2-yl)-1-benzothiophene;2,3-di(propan-2-yl)-1-benzothiophene;4,5-di(propan-2-yl)-2H-benzotriazole;5,6-di(propan-2-yl)-2H-benzotriazole;1,2-di(propan-2-yl)naphthalene;2,3-di(propan-2-yl)naphthalene;ethane;2-methyl-4,5-di(propan-2-yl)-1,3-benzothiazole;2-methyl-5,6-di(propan-2-yl)-1,3-benzothiazole;2-methyl-4,5-di(propan-2-yl)-1,3-benzoxazole;2-methyl-5,6-di(propan-2-yl)-1,3-benzoxazole;3-methyl-4,5-di(propan-2-yl)-1H-isoindole;2,2,3,3-tetramethyl-5,6-di(propan-2-yl)-1,4-benzodioxine;2,2,3,3-tetramethyl-6,7-di(propan-2-yl)-1,4-benzodioxine (CID 158395502) is 6,7-diethyl-3,4-dimethylchromen-2-one;2,3-dimethyl-2,3-di(propan-2-yl)-1,4-benzodioxine;2,3-dimethyl-5,6-di(propan-2-yl)-1-benzothiophene;2,3-dimethyl-6,7-di(propan-2-yl)-1-benzothiophene;2,3-di(propan-2-yl)-1-benzothiophene;4,5-di(propan-2-yl)-2H-benzotriazole;5,6-di(propan-2-yl)-2H-benzotriazole;1,2-di(propan-2-yl)naphthalene;2,3-di(propan-2-yl)naphthalene;ethane;2-methyl-4,5-di(propan-2-yl)-1,3-benzothiazole;2-methyl-5,6-di(propan-2-yl)-1,3-benzothiazole;2-methyl-4,5-di(propan-2-yl)-1,3-benzoxazole;2-methyl-5,6-di(propan-2-yl)-1,3-benzoxazole;3-methyl-4,5-di(propan-2-yl)-1H-isoindole;2,2,3,3-tetramethyl-5,6-di(propan-2-yl)-1,4-benzodioxine;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;2,3-dimethyl-2,3-di(propan-2-yl)-1,4-benzodioxine;2,3-dimethyl-5,6-di(propan-2-yl)-1-benzothiophene;2,3-dimethyl-6,7-di(propan-2-yl)-1-benzothiophene;2,3-di(propan-2-yl)-1-benzothiophene;4,5-di(propan-2-yl)-2H-benzotriazole;5,6-di(propan-2-yl)-2H-benzotriazole;1,2-di(propan-2-yl)naphthalene;2,3-di(propan-2-yl)naphthalene;ethane;2-methyl-4,5-di(propan-2-yl)-1,3-benzothiazole;2-methyl-5,6-di(propan-2-yl)-1,3-benzothiazole;2-methyl-4,5-di(propan-2-yl)-1,3-benzoxazole;2-methyl-5,6-di(propan-2-yl)-1,3-benzoxazole;3-methyl-4,5-di(propan-2-yl)-1H-isoindole;2,2,3,3-tetramethyl-5,6-di(propan-2-yl)-1,4-benzodioxine;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;2,3-dimethyl-2,3-di(propan-2-yl)-1,4-benzodioxine;2,3-dimethyl-5,6-di(propan-2-yl)-1-benzothiophene;2,3-dimethyl-6,7-di(propan-2-yl)-1-benzothiophene;2,3-di(propan-2-yl)-1-benzothiophene;4,5-di(propan-2-yl)-2H-benzotriazole;5,6-di(propan-2-yl)-2H-benzotriazole;1,2-di(propan-2-yl)naphthalene;2,3-di(propan-2-yl)naphthalene;ethane;2-methyl-4,5-di(propan-2-yl)-1,3-benzothiazole;2-methyl-5,6-di(propan-2-yl)-1,3-benzothiazole;2-methyl-4,5-di(propan-2-yl)-1,3-benzoxazole;2-methyl-5,6-di(propan-2-yl)-1,3-benzoxazole;3-methyl-4,5-di(propan-2-yl)-1H-isoindole;2,2,3,3-tetramethyl-5,6-di(propan-2-yl)-1,4-benzodioxine;2,2,3,3-tetramethyl-6,7-di(propan-2-yl)-1,4-benzodioxine is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)C1(C)Oc2ccccc2OC1(C)C(C)C.CC(C)c1cc2c(cc1C(C)C)OC(C)(C)C(C)(C)O2.CC(C)c1cc2ccccc2cc1C(C)C.CC(C)c1cc2n[nH]nc2cc1C(C)C.CC(C)c1ccc2c(c1C(C)C)OC(C)(C)C(C)(C)O2.CC(C)c1ccc2ccccc2c1C(C)C.CC(C)c1ccc2n[nH]nc2c1C(C)C.CC(C)c1sc2ccccc2c1C(C)C.CC1=NCc2ccc(C(C)C)c(C(C)C)c21.CCc1cc2oc(=O)c(C)c(C)c2cc1CC.Cc1nc2c(C(C)C)c(C(C)C)ccc2o1.Cc1nc2c(C(C)C)c(C(C)C)ccc2s1.Cc1nc2cc(C(C)C)c(C(C)C)cc2o1.Cc1nc2cc(C(C)C)c(C(C)C)cc2s1.Cc1sc2c(C(C)C)c(C(C)C)ccc2c1C.Cc1sc2cc(C(C)C)c(C(C)C)cc2c1C.
What is the InChIKey of 6,7-diethyl-3,4-dimethylchromen-2-one;2,3-dimethyl-2,3-di(propan-2-yl)-1,4-benzodioxine;2,3-dimethyl-5,6-di(propan-2-yl)-1-benzothiophene;2,3-dimethyl-6,7-di(propan-2-yl)-1-benzothiophene;2,3-di(propan-2-yl)-1-benzothiophene;4,5-di(propan-2-yl)-2H-benzotriazole;5,6-di(propan-2-yl)-2H-benzotriazole;1,2-di(propan-2-yl)naphthalene;2,3-di(propan-2-yl)naphthalene;ethane;2-methyl-4,5-di(propan-2-yl)-1,3-benzothiazole;2-methyl-5,6-di(propan-2-yl)-1,3-benzothiazole;2-methyl-4,5-di(propan-2-yl)-1,3-benzoxazole;2-methyl-5,6-di(propan-2-yl)-1,3-benzoxazole;3-methyl-4,5-di(propan-2-yl)-1H-isoindole;2,2,3,3-tetramethyl-5,6-di(propan-2-yl)-1,4-benzodioxine;2,2,3,3-tetramethyl-6,7-di(propan-2-yl)-1,4-benzodioxine?
The InChIKey is GXMNESBOUYYGCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H28O2.C16H24O2.2C16H22S.2C16H20.C15H21N.C15H18O2.2C14H19NO.2C14H19NS.C14H18S.2C12H17N3.16C2H6/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)13-9-10-14-16(15(13)12(3)4)20-18(7,8)17(5,6)19-14;1-11(2)15(5)16(6,12(3)4)18-14-10-8-7-9-13(14)17-15;1-9(2)13-7-15-11(5)12(6)17-16(15)8-14(13)10(3)4;1-9(2)13-7-8-14-11(5)12(6)17-16(14)15(13)10(3)4;1-11(2)15-9-13-7-5-6-8-14(13)10-16(15)12(3)4;1-11(2)14-10-9-13-7-5-6-8-15(13)16(14)12(3)4;1-9(2)13-7-6-12-8-16-11(5)15(12)14(13)10(3)4;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)11-6-7-12-14(13(11)9(3)4)15-10(5)16-12;1-8(2)11-6-13-14(16-10(5)15-13)7-12(11)9(3)4;1-8(2)11-6-7-12-14(13(11)9(3)4)15-10(5)16-12;1-9(2)13-11-7-5-6-8-12(11)15-14(13)10(3)4;1-7(2)9-5-11-12(14-15-13-11)6-10(9)8(3)4;1-7(2)9-5-6-10-12(14-15-13-10)11(9)8(3)4;16*1-2/h2*9-12H,1-8H3;7-12H,1-6H3;2*7-10H,1-6H3;2*5-12H,1-4H3;6-7,9-10H,8H2,1-5H3;7-8H,5-6H2,1-4H3;4*6-9H,1-5H3;5-10H,1-4H3;2*5-8H,1-4H3,(H,13,14,15);16*1-2H3.
What are the key properties of 6,7-diethyl-3,4-dimethylchromen-2-one;2,3-dimethyl-2,3-di(propan-2-yl)-1,4-benzodioxine;2,3-dimethyl-5,6-di(propan-2-yl)-1-benzothiophene;2,3-dimethyl-6,7-di(propan-2-yl)-1-benzothiophene;2,3-di(propan-2-yl)-1-benzothiophene;4,5-di(propan-2-yl)-2H-benzotriazole;5,6-di(propan-2-yl)-2H-benzotriazole;1,2-di(propan-2-yl)naphthalene;2,3-di(propan-2-yl)naphthalene;ethane;2-methyl-4,5-di(propan-2-yl)-1,3-benzothiazole;2-methyl-5,6-di(propan-2-yl)-1,3-benzothiazole;2-methyl-4,5-di(propan-2-yl)-1,3-benzoxazole;2-methyl-5,6-di(propan-2-yl)-1,3-benzoxazole;3-methyl-4,5-di(propan-2-yl)-1H-isoindole;2,2,3,3-tetramethyl-5,6-di(propan-2-yl)-1,4-benzodioxine;2,2,3,3-tetramethyl-6,7-di(propan-2-yl)-1,4-benzodioxine?
6,7-diethyl-3,4-dimethylchromen-2-one;2,3-dimethyl-2,3-di(propan-2-yl)-1,4-benzodioxine;2,3-dimethyl-5,6-di(propan-2-yl)-1-benzothiophene;2,3-dimethyl-6,7-di(propan-2-yl)-1-benzothiophene;2,3-di(propan-2-yl)-1-benzothiophene;4,5-di(propan-2-yl)-2H-benzotriazole;5,6-di(propan-2-yl)-2H-benzotriazole;1,2-di(propan-2-yl)naphthalene;2,3-di(propan-2-yl)naphthalene;ethane;2-methyl-4,5-di(propan-2-yl)-1,3-benzothiazole;2-methyl-5,6-di(propan-2-yl)-1,3-benzothiazole;2-methyl-4,5-di(propan-2-yl)-1,3-benzoxazole;2-methyl-5,6-di(propan-2-yl)-1,3-benzoxazole;3-methyl-4,5-di(propan-2-yl)-1H-isoindole;2,2,3,3-tetramethyl-5,6-di(propan-2-yl)-1,4-benzodioxine;2,2,3,3-tetramethyl-6,7-di(propan-2-yl)-1,4-benzodioxine has a molecular weight of 4171.81 g/mol, XLogP of 90.75, 32 rotatable bonds, 2 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-diethyl-3,4-dimethylchromen-2-one;2,3-dimethyl-2,3-di(propan-2-yl)-1,4-benzodioxine;2,3-dimethyl-5,6-di(propan-2-yl)-1-benzothiophene;2,3-dimethyl-6,7-di(propan-2-yl)-1-benzothiophene;2,3-di(propan-2-yl)-1-benzothiophene;4,5-di(propan-2-yl)-2H-benzotriazole;5,6-di(propan-2-yl)-2H-benzotriazole;1,2-di(propan-2-yl)naphthalene;2,3-di(propan-2-yl)naphthalene;ethane;2-methyl-4,5-di(propan-2-yl)-1,3-benzothiazole;2-methyl-5,6-di(propan-2-yl)-1,3-benzothiazole;2-methyl-4,5-di(propan-2-yl)-1,3-benzoxazole;2-methyl-5,6-di(propan-2-yl)-1,3-benzoxazole;3-methyl-4,5-di(propan-2-yl)-1H-isoindole;2,2,3,3-tetramethyl-5,6-di(propan-2-yl)-1,4-benzodioxine;2,2,3,3-tetramethyl-6,7-di(propan-2-yl)-1,4-benzodioxine is sourced from PubChem (CID 158395502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).