tert-butylbenzene;5-tert-butyl-1,3-benzodioxole;2-tert-butyl-2,3-dihydro-1H-benzimidazole;5-tert-butyl-2,3-dihydro-1H-benzimidazole;5-tert-butyl-2,3-dihydro-1-benzofuran;6-tert-butyl-2,3-dihydro-1-benzofuran;7-tert-butyl-3,4-dihydro-2H-1,4-benzoxazine;6-tert-butyl-3,4-dihydro-2H-chromene;5-tert-butyl-2,3-dihydro-1H-indene;4-tert-butyl-2,3-dihydro-1H-indole;5-tert-butyl-2,3-dihydro-1H-indole;5-tert-butyl-2,3-dihydro-1H-isoindole;6-tert-butyl-2,3-dihydroisoindol-1-one;7-tert-butyl-1,2-dihydroisoquinoline;6-tert-butyl-1,2-dihydroquinoline;2-tert-butylnaphthalene;6-tert-butyl-1,2,3,4-tetrahydroisoquinoline;6-tert-butyl-1,2,3,4-tetrahydronaphthalene;6-tert-butyl-1,2,3,4-tetrahydroquinoline

C233H319N13O7 — CID 165053898

IUPACtert-butylbenzene;5-tert-butyl-1,3-benzodioxole;2-tert-butyl-2,3-dihydro-1H-benzimidazole;5-tert-butyl-2,3-dihydro-1H-benzimidazole;5-tert-butyl-2,3-dihydro-1-benzofuran;6-tert-butyl-2,3-dihydro-1-benzofuran;7-tert-butyl-3,4-dihydro-2H-1,4-benzoxazine;6-tert-butyl-3,4-dihydro-2H-chromene;5-tert-butyl-2,3-dihydro-1H-indene;4-tert-butyl-2,3-dihydro-1H-indole;5-tert-butyl-2,3-dihydro-1H-indole;5-tert-butyl-2,3-dihydro-1H-isoindole;6-tert-butyl-2,3-dihydroisoindol-1-one;7-tert-butyl-1,2-dihydroisoquinoline;6-tert-butyl-1,2-dihydroquinoline;2-tert-butylnaphthalene;6-tert-butyl-1,2,3,4-tetrahydroisoquinoline;6-tert-butyl-1,2,3,4-tetrahydronaphthalene;6-tert-butyl-1,2,3,4-tetrahydroquinoline
SMILESCC(C)(C)C1Nc2ccccc2N1.CC(C)(C)c1ccc2c(c1)C(=O)NC2.CC(C)(C)c1ccc2c(c1)C=CCN2.CC(C)(C)c1ccc2c(c1)CCC2.CC(C)(C)c1ccc2c(c1)CCCC2.CC(C)(C)c1ccc2c(c1)CCCN2.CC(C)(C)c1ccc2c(c1)CCCO2.CC(C)(C)c1ccc2c(c1)CCN2.CC(C)(C)c1ccc2c(c1)CCNC2.CC(C)(C)c1ccc2c(c1)CCO2.CC(C)(C)c1ccc2c(c1)CNC2.CC(C)(C)c1ccc2c(c1)CNC=C2.CC(C)(C)c1ccc2c(c1)NCN2.CC(C)(C)c1ccc2c(c1)OCC2.CC(C)(C)c1ccc2c(c1)OCCN2.CC(C)(C)c1ccc2c(c1)OCO2.CC(C)(C)c1ccc2ccccc2c1.CC(C)(C)c1cccc2c1CCN2.CC(C)(C)c1ccccc1
InChIInChI=1S/C14H20.C14H16.C13H19N.C13H17N.C13H19N.C13H17N.C13H18O.C13H18.C12H15NO.C12H17NO.3C12H17N.2C12H16O.2C11H16N2.C11H14O2.C10H14/c2*1-14(2,3)13-9-8-11-6-4-5-7-12(11)10-13;1-13(2,3)12-5-4-11-9-14-7-6-10(11)8-12;1-13(2,3)12-5-4-10-6-7-14-9-11(10)8-12;3*1-13(2,3)11-6-7-12-10(9-11)5-4-8-14-12;1-13(2,3)12-8-7-10-5-4-6-11(10)9-12;1-12(2,3)9-5-4-8-7-13-11(14)10(8)6-9;1-12(2,3)9-4-5-10-11(8-9)14-7-6-13-10;1-12(2,3)11-5-4-9-7-13-8-10(9)6-11;1-12(2,3)10-4-5-11-9(8-10)6-7-13-11;1-12(2,3)10-5-4-6-11-9(10)7-8-13-11;1-12(2,3)10-4-5-11-9(8-10)6-7-13-11;1-12(2,3)10-5-4-9-6-7-13-11(9)8-10;1-11(2,3)8-4-5-9-10(6-8)13-7-12-9;1-11(2,3)10-12-8-6-4-5-7-9(8)13-10;1-11(2,3)8-4-5-9-10(6-8)13-7-12-9;1-10(2,3)9-7-5-4-6-8-9/h8-10H,4-7H2,1-3H3;4-10H,1-3H3;4-5,8,14H,6-7,9H2,1-3H3;4-8,14H,9H2,1-3H3;6-7,9,14H,4-5,8H2,1-3H3;4-7,9,14H,8H2,1-3H3;6-7,9H,4-5,8H2,1-3H3;7-9H,4-6H2,1-3H3;4-6H,7H2,1-3H3,(H,13,14);4-5,8,13H,6-7H2,1-3H3;4-6,13H,7-8H2,1-3H3;4-5,8,13H,6-7H2,1-3H3;4-6,13H,7-8H2,1-3H3;2*4-5,8H,6-7H2,1-3H3;4-6,12-13H,7H2,1-3H3;4-7,10,12-13H,1-3H3;4-6H,7H2,1-3H3;4-8H,1-3H3
InChIKeyQCBKEDDJGDKDOE-UHFFFAOYSA-N
MW3414.20 g/mol
LogP57.95
Rot. Bonds

About tert-butylbenzene;5-tert-butyl-1,3-benzodioxole;2-tert-butyl-2,3-dihydro-1H-benzimidazole;5-tert-butyl-2,3-dihydro-1H-benzimidazole;5-tert-butyl-2,3-dihydro-1-benzofuran;6-tert-butyl-2,3-dihydro-1-benzofuran;7-tert-butyl-3,4-dihydro-2H-1,4-benzoxazine;6-tert-butyl-3,4-dihydro-2H-chromene;5-tert-butyl-2,3-dihydro-1H-indene;4-tert-butyl-2,3-dihydro-1H-indole;5-tert-butyl-2,3-dihydro-1H-indole;5-tert-butyl-2,3-dihydro-1H-isoindole;6-tert-butyl-2,3-dihydroisoindol-1-one;7-tert-butyl-1,2-dihydroisoquinoline;6-tert-butyl-1,2-dihydroquinoline;2-tert-butylnaphthalene;6-tert-butyl-1,2,3,4-tetrahydroisoquinoline;6-tert-butyl-1,2,3,4-tetrahydronaphthalene;6-tert-butyl-1,2,3,4-tetrahydroquinoline

tert-butylbenzene;5-tert-butyl-1,3-benzodioxole;2-tert-butyl-2,3-dihydro-1H-benzimidazole;5-tert-butyl-2,3-dihydro-1H-benzimidazole;5-tert-butyl-2,3-dihydro-1-benzofuran;6-tert-butyl-2,3-dihydro-1-benzofuran;7-tert-butyl-3,4-dihydro-2H-1,4-benzoxazine;6-tert-butyl-3,4-dihydro-2H-chromene;5-tert-butyl-2,3-dihydro-1H-indene;4-tert-butyl-2,3-dihydro-1H-indole;5-tert-butyl-2,3-dihydro-1H-indole;5-tert-butyl-2,3-dihydro-1H-isoindole;6-tert-butyl-2,3-dihydroisoindol-1-one;7-tert-butyl-1,2-dihydroisoquinoline;6-tert-butyl-1,2-dihydroquinoline;2-tert-butylnaphthalene;6-tert-butyl-1,2,3,4-tetrahydroisoquinoline;6-tert-butyl-1,2,3,4-tetrahydronaphthalene;6-tert-butyl-1,2,3,4-tetrahydroquinoline (PubChem CID 165053898) has the molecular formula C233H319N13O7 and a molecular weight of 3414.20 g/mol. Its IUPAC name is tert-butylbenzene;5-tert-butyl-1,3-benzodioxole;2-tert-butyl-2,3-dihydro-1H-benzimidazole;5-tert-butyl-2,3-dihydro-1H-benzimidazole;5-tert-butyl-2,3-dihydro-1-benzofuran;6-tert-butyl-2,3-dihydro-1-benzofuran;7-tert-butyl-3,4-dihydro-2H-1,4-benzoxazine;6-tert-butyl-3,4-dihydro-2H-chromene;5-tert-butyl-2,3-dihydro-1H-indene;4-tert-butyl-2,3-dihydro-1H-indole;5-tert-butyl-2,3-dihydro-1H-indole;5-tert-butyl-2,3-dihydro-1H-isoindole;6-tert-butyl-2,3-dihydroisoindol-1-one;7-tert-butyl-1,2-dihydroisoquinoline;6-tert-butyl-1,2-dihydroquinoline;2-tert-butylnaphthalene;6-tert-butyl-1,2,3,4-tetrahydroisoquinoline;6-tert-butyl-1,2,3,4-tetrahydronaphthalene;6-tert-butyl-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Nametert-butylbenzene;5-tert-butyl-1,3-benzodioxole;2-tert-butyl-2,3-dihydro-1H-benzimidazole;5-tert-butyl-2,3-dihydro-1H-benzimidazole;5-tert-butyl-2,3-dihydro-1-benzofuran;6-tert-butyl-2,3-dihydro-1-benzofuran;7-tert-butyl-3,4-dihydro-2H-1,4-benzoxazine;6-tert-butyl-3,4-dihydro-2H-chromene;5-tert-butyl-2,3-dihydro-1H-indene;4-tert-butyl-2,3-dihydro-1H-indole;5-tert-butyl-2,3-dihydro-1H-indole;5-tert-butyl-2,3-dihydro-1H-isoindole;6-tert-butyl-2,3-dihydroisoindol-1-one;7-tert-butyl-1,2-dihydroisoquinoline;6-tert-butyl-1,2-dihydroquinoline;2-tert-butylnaphthalene;6-tert-butyl-1,2,3,4-tetrahydroisoquinoline;6-tert-butyl-1,2,3,4-tetrahydronaphthalene;6-tert-butyl-1,2,3,4-tetrahydroquinoline
PubChem CID165053898
Molecular FormulaC233H319N13O7
Molecular Weight3414.20 g/mol
Exact Mass3411.50
IUPAC Nametert-butylbenzene;5-tert-butyl-1,3-benzodioxole;2-tert-butyl-2,3-dihydro-1H-benzimidazole;5-tert-butyl-2,3-dihydro-1H-benzimidazole;5-tert-butyl-2,3-dihydro-1-benzofuran;6-tert-butyl-2,3-dihydro-1-benzofuran;7-tert-butyl-3,4-dihydro-2H-1,4-benzoxazine;6-tert-butyl-3,4-dihydro-2H-chromene;5-tert-butyl-2,3-dihydro-1H-indene;4-tert-butyl-2,3-dihydro-1H-indole;5-tert-butyl-2,3-dihydro-1H-indole;5-tert-butyl-2,3-dihydro-1H-isoindole;6-tert-butyl-2,3-dihydroisoindol-1-one;7-tert-butyl-1,2-dihydroisoquinoline;6-tert-butyl-1,2-dihydroquinoline;2-tert-butylnaphthalene;6-tert-butyl-1,2,3,4-tetrahydroisoquinoline;6-tert-butyl-1,2,3,4-tetrahydronaphthalene;6-tert-butyl-1,2,3,4-tetrahydroquinoline
SMILESCC(C)(C)C1Nc2ccccc2N1.CC(C)(C)c1ccc2c(c1)C(=O)NC2.CC(C)(C)c1ccc2c(c1)C=CCN2.CC(C)(C)c1ccc2c(c1)CCC2.CC(C)(C)c1ccc2c(c1)CCCC2.CC(C)(C)c1ccc2c(c1)CCCN2.CC(C)(C)c1ccc2c(c1)CCCO2.CC(C)(C)c1ccc2c(c1)CCN2.CC(C)(C)c1ccc2c(c1)CCNC2.CC(C)(C)c1ccc2c(c1)CCO2.CC(C)(C)c1ccc2c(c1)CNC2.CC(C)(C)c1ccc2c(c1)CNC=C2.CC(C)(C)c1ccc2c(c1)NCN2.CC(C)(C)c1ccc2c(c1)OCC2.CC(C)(C)c1ccc2c(c1)OCCN2.CC(C)(C)c1ccc2c(c1)OCO2.CC(C)(C)c1ccc2ccccc2c1.CC(C)(C)c1cccc2c1CCN2.CC(C)(C)c1ccccc1
InChIInChI=1S/C14H20.C14H16.C13H19N.C13H17N.C13H19N.C13H17N.C13H18O.C13H18.C12H15NO.C12H17NO.3C12H17N.2C12H16O.2C11H16N2.C11H14O2.C10H14/c2*1-14(2,3)13-9-8-11-6-4-5-7-12(11)10-13;1-13(2,3)12-5-4-11-9-14-7-6-10(11)8-12;1-13(2,3)12-5-4-10-6-7-14-9-11(10)8-12;3*1-13(2,3)11-6-7-12-10(9-11)5-4-8-14-12;1-13(2,3)12-8-7-10-5-4-6-11(10)9-12;1-12(2,3)9-5-4-8-7-13-11(14)10(8)6-9;1-12(2,3)9-4-5-10-11(8-9)14-7-6-13-10;1-12(2,3)11-5-4-9-7-13-8-10(9)6-11;1-12(2,3)10-4-5-11-9(8-10)6-7-13-11;1-12(2,3)10-5-4-6-11-9(10)7-8-13-11;1-12(2,3)10-4-5-11-9(8-10)6-7-13-11;1-12(2,3)10-5-4-9-6-7-13-11(9)8-10;1-11(2,3)8-4-5-9-10(6-8)13-7-12-9;1-11(2,3)10-12-8-6-4-5-7-9(8)13-10;1-11(2,3)8-4-5-9-10(6-8)13-7-12-9;1-10(2,3)9-7-5-4-6-8-9/h8-10H,4-7H2,1-3H3;4-10H,1-3H3;4-5,8,14H,6-7,9H2,1-3H3;4-8,14H,9H2,1-3H3;6-7,9,14H,4-5,8H2,1-3H3;4-7,9,14H,8H2,1-3H3;6-7,9H,4-5,8H2,1-3H3;7-9H,4-6H2,1-3H3;4-6H,7H2,1-3H3,(H,13,14);4-5,8,13H,6-7H2,1-3H3;4-6,13H,7-8H2,1-3H3;4-5,8,13H,6-7H2,1-3H3;4-6,13H,7-8H2,1-3H3;2*4-5,8H,6-7H2,1-3H3;4-6,12-13H,7H2,1-3H3;4-7,10,12-13H,1-3H3;4-6H,7H2,1-3H3;4-8H,1-3H3
InChIKeyQCBKEDDJGDKDOE-UHFFFAOYSA-N
XLogP57.95
TPSA228.84 Ų
H-Bond Donors13
H-Bond Acceptors19
Rotatable Bonds
Heavy Atoms253
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003414.20
LogP ≤ 557.95
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1019

Analyze tert-butylbenzene;5-tert-butyl-1,3-benzodioxole;2-tert-butyl-2,3-dihydro-1H-benzimidazole;5-tert-butyl-2,3-dihydro-1H-benzimidazole;5-tert-butyl-2,3-dihydro-1-benzofuran;6-tert-butyl-2,3-dihydro-1-benzofuran;7-tert-butyl-3,4-dihydro-2H-1,4-benzoxazine;6-tert-butyl-3,4-dihydro-2H-chromene;5-tert-butyl-2,3-dihydro-1H-indene;4-tert-butyl-2,3-dihydro-1H-indole;5-tert-butyl-2,3-dihydro-1H-indole;5-tert-butyl-2,3-dihydro-1H-isoindole;6-tert-butyl-2,3-dihydroisoindol-1-one;7-tert-butyl-1,2-dihydroisoquinoline;6-tert-butyl-1,2-dihydroquinoline;2-tert-butylnaphthalene;6-tert-butyl-1,2,3,4-tetrahydroisoquinoline;6-tert-butyl-1,2,3,4-tetrahydronaphthalene;6-tert-butyl-1,2,3,4-tetrahydroquinoline with MolForge

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Launch Full Analysis

Related Compounds

3,3-dimethyl-5-propan-2-yl-1H-indol-2-one;5-propan-2-yl-3H-1-benzofuran-2-one;6-propan-2-yl-3H-1,3-benzoxazol-2-one;5-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-2,3-dihydro-1H-indole;5-propan-2-yl-2,3-dihydroisoindol-1-one;6-propan-2-yl-2,3-dihydroisoindol-1-one;6-propan-2-yl-2,4-dihydro-1H-isoquinolin-3-one;7-propan-2-yl-2,4-dihydro-1H-isoquinolin-3-one;6-propan-2-yl-3,4-dihydro-1H-quinolin-2-one
CID 157184845
3,4-dimethyl-2,3-dihydro-1-benzofuran;1,4-dimethyl-2,3-dihydroindole;2,4-dimethylisoindole-1,3-dione;4-methyl-1,3-benzodioxole;4-methyl-3H-2-benzofuran-1-one;6-methyl-3H-1,3-benzoxazol-2-one;7-methyl-3H-1,3-benzoxazol-2-one;1-(6-methyl-2H-1,3-benzoxazol-3-yl)ethanone;5-methyl-2,3-dihydro-1,4-benzodioxine;6-methyl-2,3-dihydro-1,4-benzodioxine;4-methyl-1,3-dihydro-2-benzofuran;4-methyl-2,3-dihydro-1-benzofuran;7-methyl-2,3-dihydro-1-benzofuran;5-methyl-3,4-dihydro-2H-chromene;1-(6-methyl-2,3-dihydroindol-1-yl)ethanone;2,2,7-trimethyl-3H-1-benzofuran
CID 157450195
3,4-dimethyl-2,3-dihydro-1-benzofuran;1,4-dimethyl-2,3-dihydroindole;2,4-dimethylisoindole-1,3-dione;4-methyl-1,3-benzodioxole;4-methyl-3H-2-benzofuran-1-one;6-methyl-3H-1,3-benzoxazol-2-one;7-methyl-3H-1,3-benzoxazol-2-one;5-methyl-2,3-dihydro-1,4-benzodioxine;6-methyl-2,3-dihydro-1,4-benzodioxine;4-methyl-1,3-dihydro-2-benzofuran;4-methyl-2,3-dihydro-1-benzofuran;7-methyl-2,3-dihydro-1-benzofuran;5-methyl-3,4-dihydro-2H-chromene;1-(5-methyl-2,3-dihydroindol-1-yl)ethanone;1-(6-methyl-2,3-dihydroindol-1-yl)ethanone;2,2,7-trimethyl-3H-1-benzofuran
CID 160747189
ethane;2-propan-2-yl-6-azaspiro[3.4]octane;5-propan-2-yl-1,3-benzodioxole;7-propan-2-yl-3,4-dihydro-2H-chromene;5-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-1,3-dihydroinden-2-one;6-propan-2-yl-1,3-dihydroindol-2-one;5-propan-2-ylisoindole-1,3-dione;4-propan-2-ylpiperidine;2-propan-2-ylpyrrolidine;6-propan-2-yl-1,2,3,4-tetrahydronaphthalene
CID 165042109

Frequently Asked Questions

What is the IUPAC name of tert-butylbenzene;5-tert-butyl-1,3-benzodioxole;2-tert-butyl-2,3-dihydro-1H-benzimidazole;5-tert-butyl-2,3-dihydro-1H-benzimidazole;5-tert-butyl-2,3-dihydro-1-benzofuran;6-tert-butyl-2,3-dihydro-1-benzofuran;7-tert-butyl-3,4-dihydro-2H-1,4-benzoxazine;6-tert-butyl-3,4-dihydro-2H-chromene;5-tert-butyl-2,3-dihydro-1H-indene;4-tert-butyl-2,3-dihydro-1H-indole;5-tert-butyl-2,3-dihydro-1H-indole;5-tert-butyl-2,3-dihydro-1H-isoindole;6-tert-butyl-2,3-dihydroisoindol-1-one;7-tert-butyl-1,2-dihydroisoquinoline;6-tert-butyl-1,2-dihydroquinoline;2-tert-butylnaphthalene;6-tert-butyl-1,2,3,4-tetrahydroisoquinoline;6-tert-butyl-1,2,3,4-tetrahydronaphthalene;6-tert-butyl-1,2,3,4-tetrahydroquinoline?
The IUPAC name of tert-butylbenzene;5-tert-butyl-1,3-benzodioxole;2-tert-butyl-2,3-dihydro-1H-benzimidazole;5-tert-butyl-2,3-dihydro-1H-benzimidazole;5-tert-butyl-2,3-dihydro-1-benzofuran;6-tert-butyl-2,3-dihydro-1-benzofuran;7-tert-butyl-3,4-dihydro-2H-1,4-benzoxazine;6-tert-butyl-3,4-dihydro-2H-chromene;5-tert-butyl-2,3-dihydro-1H-indene;4-tert-butyl-2,3-dihydro-1H-indole;5-tert-butyl-2,3-dihydro-1H-indole;5-tert-butyl-2,3-dihydro-1H-isoindole;6-tert-butyl-2,3-dihydroisoindol-1-one;7-tert-butyl-1,2-dihydroisoquinoline;6-tert-butyl-1,2-dihydroquinoline;2-tert-butylnaphthalene;6-tert-butyl-1,2,3,4-tetrahydroisoquinoline;6-tert-butyl-1,2,3,4-tetrahydronaphthalene;6-tert-butyl-1,2,3,4-tetrahydroquinoline (CID 165053898) is tert-butylbenzene;5-tert-butyl-1,3-benzodioxole;2-tert-butyl-2,3-dihydro-1H-benzimidazole;5-tert-butyl-2,3-dihydro-1H-benzimidazole;5-tert-butyl-2,3-dihydro-1-benzofuran;6-tert-butyl-2,3-dihydro-1-benzofuran;7-tert-butyl-3,4-dihydro-2H-1,4-benzoxazine;6-tert-butyl-3,4-dihydro-2H-chromene;5-tert-butyl-2,3-dihydro-1H-indene;4-tert-butyl-2,3-dihydro-1H-indole;5-tert-butyl-2,3-dihydro-1H-indole;5-tert-butyl-2,3-dihydro-1H-isoindole;6-tert-butyl-2,3-dihydroisoindol-1-one;7-tert-butyl-1,2-dihydroisoquinoline;6-tert-butyl-1,2-dihydroquinoline;2-tert-butylnaphthalene;6-tert-butyl-1,2,3,4-tetrahydroisoquinoline;6-tert-butyl-1,2,3,4-tetrahydronaphthalene;6-tert-butyl-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for tert-butylbenzene;5-tert-butyl-1,3-benzodioxole;2-tert-butyl-2,3-dihydro-1H-benzimidazole;5-tert-butyl-2,3-dihydro-1H-benzimidazole;5-tert-butyl-2,3-dihydro-1-benzofuran;6-tert-butyl-2,3-dihydro-1-benzofuran;7-tert-butyl-3,4-dihydro-2H-1,4-benzoxazine;6-tert-butyl-3,4-dihydro-2H-chromene;5-tert-butyl-2,3-dihydro-1H-indene;4-tert-butyl-2,3-dihydro-1H-indole;5-tert-butyl-2,3-dihydro-1H-indole;5-tert-butyl-2,3-dihydro-1H-isoindole;6-tert-butyl-2,3-dihydroisoindol-1-one;7-tert-butyl-1,2-dihydroisoquinoline;6-tert-butyl-1,2-dihydroquinoline;2-tert-butylnaphthalene;6-tert-butyl-1,2,3,4-tetrahydroisoquinoline;6-tert-butyl-1,2,3,4-tetrahydronaphthalene;6-tert-butyl-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for tert-butylbenzene;5-tert-butyl-1,3-benzodioxole;2-tert-butyl-2,3-dihydro-1H-benzimidazole;5-tert-butyl-2,3-dihydro-1H-benzimidazole;5-tert-butyl-2,3-dihydro-1-benzofuran;6-tert-butyl-2,3-dihydro-1-benzofuran;7-tert-butyl-3,4-dihydro-2H-1,4-benzoxazine;6-tert-butyl-3,4-dihydro-2H-chromene;5-tert-butyl-2,3-dihydro-1H-indene;4-tert-butyl-2,3-dihydro-1H-indole;5-tert-butyl-2,3-dihydro-1H-indole;5-tert-butyl-2,3-dihydro-1H-isoindole;6-tert-butyl-2,3-dihydroisoindol-1-one;7-tert-butyl-1,2-dihydroisoquinoline;6-tert-butyl-1,2-dihydroquinoline;2-tert-butylnaphthalene;6-tert-butyl-1,2,3,4-tetrahydroisoquinoline;6-tert-butyl-1,2,3,4-tetrahydronaphthalene;6-tert-butyl-1,2,3,4-tetrahydroquinoline is CC(C)(C)C1Nc2ccccc2N1.CC(C)(C)c1ccc2c(c1)C(=O)NC2.CC(C)(C)c1ccc2c(c1)C=CCN2.CC(C)(C)c1ccc2c(c1)CCC2.CC(C)(C)c1ccc2c(c1)CCCC2.CC(C)(C)c1ccc2c(c1)CCCN2.CC(C)(C)c1ccc2c(c1)CCCO2.CC(C)(C)c1ccc2c(c1)CCN2.CC(C)(C)c1ccc2c(c1)CCNC2.CC(C)(C)c1ccc2c(c1)CCO2.CC(C)(C)c1ccc2c(c1)CNC2.CC(C)(C)c1ccc2c(c1)CNC=C2.CC(C)(C)c1ccc2c(c1)NCN2.CC(C)(C)c1ccc2c(c1)OCC2.CC(C)(C)c1ccc2c(c1)OCCN2.CC(C)(C)c1ccc2c(c1)OCO2.CC(C)(C)c1ccc2ccccc2c1.CC(C)(C)c1cccc2c1CCN2.CC(C)(C)c1ccccc1.
What is the InChIKey of tert-butylbenzene;5-tert-butyl-1,3-benzodioxole;2-tert-butyl-2,3-dihydro-1H-benzimidazole;5-tert-butyl-2,3-dihydro-1H-benzimidazole;5-tert-butyl-2,3-dihydro-1-benzofuran;6-tert-butyl-2,3-dihydro-1-benzofuran;7-tert-butyl-3,4-dihydro-2H-1,4-benzoxazine;6-tert-butyl-3,4-dihydro-2H-chromene;5-tert-butyl-2,3-dihydro-1H-indene;4-tert-butyl-2,3-dihydro-1H-indole;5-tert-butyl-2,3-dihydro-1H-indole;5-tert-butyl-2,3-dihydro-1H-isoindole;6-tert-butyl-2,3-dihydroisoindol-1-one;7-tert-butyl-1,2-dihydroisoquinoline;6-tert-butyl-1,2-dihydroquinoline;2-tert-butylnaphthalene;6-tert-butyl-1,2,3,4-tetrahydroisoquinoline;6-tert-butyl-1,2,3,4-tetrahydronaphthalene;6-tert-butyl-1,2,3,4-tetrahydroquinoline?
The InChIKey is QCBKEDDJGDKDOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20.C14H16.C13H19N.C13H17N.C13H19N.C13H17N.C13H18O.C13H18.C12H15NO.C12H17NO.3C12H17N.2C12H16O.2C11H16N2.C11H14O2.C10H14/c2*1-14(2,3)13-9-8-11-6-4-5-7-12(11)10-13;1-13(2,3)12-5-4-11-9-14-7-6-10(11)8-12;1-13(2,3)12-5-4-10-6-7-14-9-11(10)8-12;3*1-13(2,3)11-6-7-12-10(9-11)5-4-8-14-12;1-13(2,3)12-8-7-10-5-4-6-11(10)9-12;1-12(2,3)9-5-4-8-7-13-11(14)10(8)6-9;1-12(2,3)9-4-5-10-11(8-9)14-7-6-13-10;1-12(2,3)11-5-4-9-7-13-8-10(9)6-11;1-12(2,3)10-4-5-11-9(8-10)6-7-13-11;1-12(2,3)10-5-4-6-11-9(10)7-8-13-11;1-12(2,3)10-4-5-11-9(8-10)6-7-13-11;1-12(2,3)10-5-4-9-6-7-13-11(9)8-10;1-11(2,3)8-4-5-9-10(6-8)13-7-12-9;1-11(2,3)10-12-8-6-4-5-7-9(8)13-10;1-11(2,3)8-4-5-9-10(6-8)13-7-12-9;1-10(2,3)9-7-5-4-6-8-9/h8-10H,4-7H2,1-3H3;4-10H,1-3H3;4-5,8,14H,6-7,9H2,1-3H3;4-8,14H,9H2,1-3H3;6-7,9,14H,4-5,8H2,1-3H3;4-7,9,14H,8H2,1-3H3;6-7,9H,4-5,8H2,1-3H3;7-9H,4-6H2,1-3H3;4-6H,7H2,1-3H3,(H,13,14);4-5,8,13H,6-7H2,1-3H3;4-6,13H,7-8H2,1-3H3;4-5,8,13H,6-7H2,1-3H3;4-6,13H,7-8H2,1-3H3;2*4-5,8H,6-7H2,1-3H3;4-6,12-13H,7H2,1-3H3;4-7,10,12-13H,1-3H3;4-6H,7H2,1-3H3;4-8H,1-3H3.
What are the key properties of tert-butylbenzene;5-tert-butyl-1,3-benzodioxole;2-tert-butyl-2,3-dihydro-1H-benzimidazole;5-tert-butyl-2,3-dihydro-1H-benzimidazole;5-tert-butyl-2,3-dihydro-1-benzofuran;6-tert-butyl-2,3-dihydro-1-benzofuran;7-tert-butyl-3,4-dihydro-2H-1,4-benzoxazine;6-tert-butyl-3,4-dihydro-2H-chromene;5-tert-butyl-2,3-dihydro-1H-indene;4-tert-butyl-2,3-dihydro-1H-indole;5-tert-butyl-2,3-dihydro-1H-indole;5-tert-butyl-2,3-dihydro-1H-isoindole;6-tert-butyl-2,3-dihydroisoindol-1-one;7-tert-butyl-1,2-dihydroisoquinoline;6-tert-butyl-1,2-dihydroquinoline;2-tert-butylnaphthalene;6-tert-butyl-1,2,3,4-tetrahydroisoquinoline;6-tert-butyl-1,2,3,4-tetrahydronaphthalene;6-tert-butyl-1,2,3,4-tetrahydroquinoline?
tert-butylbenzene;5-tert-butyl-1,3-benzodioxole;2-tert-butyl-2,3-dihydro-1H-benzimidazole;5-tert-butyl-2,3-dihydro-1H-benzimidazole;5-tert-butyl-2,3-dihydro-1-benzofuran;6-tert-butyl-2,3-dihydro-1-benzofuran;7-tert-butyl-3,4-dihydro-2H-1,4-benzoxazine;6-tert-butyl-3,4-dihydro-2H-chromene;5-tert-butyl-2,3-dihydro-1H-indene;4-tert-butyl-2,3-dihydro-1H-indole;5-tert-butyl-2,3-dihydro-1H-indole;5-tert-butyl-2,3-dihydro-1H-isoindole;6-tert-butyl-2,3-dihydroisoindol-1-one;7-tert-butyl-1,2-dihydroisoquinoline;6-tert-butyl-1,2-dihydroquinoline;2-tert-butylnaphthalene;6-tert-butyl-1,2,3,4-tetrahydroisoquinoline;6-tert-butyl-1,2,3,4-tetrahydronaphthalene;6-tert-butyl-1,2,3,4-tetrahydroquinoline has a molecular weight of 3414.20 g/mol, XLogP of 57.95, 0 rotatable bonds, 13 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butylbenzene;5-tert-butyl-1,3-benzodioxole;2-tert-butyl-2,3-dihydro-1H-benzimidazole;5-tert-butyl-2,3-dihydro-1H-benzimidazole;5-tert-butyl-2,3-dihydro-1-benzofuran;6-tert-butyl-2,3-dihydro-1-benzofuran;7-tert-butyl-3,4-dihydro-2H-1,4-benzoxazine;6-tert-butyl-3,4-dihydro-2H-chromene;5-tert-butyl-2,3-dihydro-1H-indene;4-tert-butyl-2,3-dihydro-1H-indole;5-tert-butyl-2,3-dihydro-1H-indole;5-tert-butyl-2,3-dihydro-1H-isoindole;6-tert-butyl-2,3-dihydroisoindol-1-one;7-tert-butyl-1,2-dihydroisoquinoline;6-tert-butyl-1,2-dihydroquinoline;2-tert-butylnaphthalene;6-tert-butyl-1,2,3,4-tetrahydroisoquinoline;6-tert-butyl-1,2,3,4-tetrahydronaphthalene;6-tert-butyl-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 165053898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).