9-tert-butylanthracene;6-tert-butyl-8-chloro-2,2-dimethyl-3,4-dihydrochromene;1-tert-butyl-3-chloro-5-methylbenzene;4-tert-butyl-1-chloro-2-methylbenzene;7-tert-butyl-5-chloro-4-methyl-2,3-dihydro-1,4-benzoxazine;6-tert-butyl-8-chloro-1-methyl-3,4-dihydro-2H-quinoline;5-tert-butyl-2,3-dihydro-1-benzofuran;6-tert-butyl-2,2-dimethyl-3,4-dihydrochromene;1-tert-butyl-2-(4-ethylphenoxy)benzene;1-tert-butyl-3-fluorobenzene;1-tert-butyl-4-fluorobenzene;4-tert-butyl-1-fluoro-2-methylbenzene;1-tert-butyl-4-methoxy-2,5-dimethylbenzene;1-tert-butyl-2-methylbenzene;2-tert-butylnaphthalene;1-tert-butyl-4-phenylbenzene;8-tert-butylquinoline;1-tert-butyl-4-(trifluoromethoxy)benzene;methane

C237H310Cl5F6N3O7 — CID 159650982

IUPAC9-tert-butylanthracene;6-tert-butyl-8-chloro-2,2-dimethyl-3,4-dihydrochromene;1-tert-butyl-3-chloro-5-methylbenzene;4-tert-butyl-1-chloro-2-methylbenzene;7-tert-butyl-5-chloro-4-methyl-2,3-dihydro-1,4-benzoxazine;6-tert-butyl-8-chloro-1-methyl-3,4-dihydro-2H-quinoline;5-tert-butyl-2,3-dihydro-1-benzofuran;6-tert-butyl-2,2-dimethyl-3,4-dihydrochromene;1-tert-butyl-2-(4-ethylphenoxy)benzene;1-tert-butyl-3-fluorobenzene;1-tert-butyl-4-fluorobenzene;4-tert-butyl-1-fluoro-2-methylbenzene;1-tert-butyl-4-methoxy-2,5-dimethylbenzene;1-tert-butyl-2-methylbenzene;2-tert-butylnaphthalene;1-tert-butyl-4-phenylbenzene;8-tert-butylquinoline;1-tert-butyl-4-(trifluoromethoxy)benzene;methane
SMILESC.CC(C)(C)c1c2ccccc2cc2ccccc12.CC(C)(C)c1ccc(-c2ccccc2)cc1.CC(C)(C)c1ccc(F)cc1.CC(C)(C)c1ccc(OC(F)(F)F)cc1.CC(C)(C)c1ccc2c(c1)CCO2.CC(C)(C)c1ccc2ccccc2c1.CC(C)(C)c1cccc(F)c1.CC(C)(C)c1cccc2cccnc12.CC1(C)CCc2cc(C(C)(C)C)cc(Cl)c2O1.CC1(C)CCc2cc(C(C)(C)C)ccc2O1.CCc1ccc(Oc2ccccc2C(C)(C)C)cc1.CN1CCCc2cc(C(C)(C)C)cc(Cl)c21.CN1CCOc2cc(C(C)(C)C)cc(Cl)c21.COc1cc(C)c(C(C)(C)C)cc1C.Cc1cc(C(C)(C)C)ccc1Cl.Cc1cc(C(C)(C)C)ccc1F.Cc1cc(Cl)cc(C(C)(C)C)c1.Cc1ccccc1C(C)(C)C
InChIInChI=1S/C18H22O.C18H18.C16H18.C15H21ClO.C15H22O.C14H20ClN.C14H16.C13H18ClNO.C13H15N.C13H20O.C12H16O.2C11H15Cl.C11H13F3O.C11H15F.C11H16.2C10H13F.CH4/c1-5-14-10-12-15(13-11-14)19-17-9-7-6-8-16(17)18(2,3)4;1-18(2,3)17-15-10-6-4-8-13(15)12-14-9-5-7-11-16(14)17;1-16(2,3)15-11-9-14(10-12-15)13-7-5-4-6-8-13;1-14(2,3)11-8-10-6-7-15(4,5)17-13(10)12(16)9-11;1-14(2,3)12-6-7-13-11(10-12)8-9-15(4,5)16-13;1-14(2,3)11-8-10-6-5-7-16(4)13(10)12(15)9-11;1-14(2,3)13-9-8-11-6-4-5-7-12(11)10-13;1-13(2,3)9-7-10(14)12-11(8-9)16-6-5-15(12)4;1-13(2,3)11-8-4-6-10-7-5-9-14-12(10)11;1-9-8-12(14-6)10(2)7-11(9)13(3,4)5;1-12(2,3)10-4-5-11-9(8-10)6-7-13-11;1-8-5-9(11(2,3)4)7-10(12)6-8;1-8-7-9(11(2,3)4)5-6-10(8)12;1-10(2,3)8-4-6-9(7-5-8)15-11(12,13)14;1-8-7-9(11(2,3)4)5-6-10(8)12;1-9-7-5-6-8-10(9)11(2,3)4;1-10(2,3)8-4-6-9(11)7-5-8;1-10(2,3)8-5-4-6-9(11)7-8;/h6-13H,5H2,1-4H3;4-12H,1-3H3;4-12H,1-3H3;8-9H,6-7H2,1-5H3;6-7,10H,8-9H2,1-5H3;8-9H,5-7H2,1-4H3;4-10H,1-3H3;7-8H,5-6H2,1-4H3;4-9H,1-3H3;7-8H,1-6H3;4-5,8H,6-7H2,1-3H3;2*5-7H,1-4H3;4-7H,1-3H3;5-7H,1-4H3;5-8H,1-4H3;2*4-7H,1-3H3;1H4
InChIKeyMROITRYPLWVTEY-UHFFFAOYSA-N
MW3604.35 g/mol
LogP71.17
Rot. Bonds6

About 9-tert-butylanthracene;6-tert-butyl-8-chloro-2,2-dimethyl-3,4-dihydrochromene;1-tert-butyl-3-chloro-5-methylbenzene;4-tert-butyl-1-chloro-2-methylbenzene;7-tert-butyl-5-chloro-4-methyl-2,3-dihydro-1,4-benzoxazine;6-tert-butyl-8-chloro-1-methyl-3,4-dihydro-2H-quinoline;5-tert-butyl-2,3-dihydro-1-benzofuran;6-tert-butyl-2,2-dimethyl-3,4-dihydrochromene;1-tert-butyl-2-(4-ethylphenoxy)benzene;1-tert-butyl-3-fluorobenzene;1-tert-butyl-4-fluorobenzene;4-tert-butyl-1-fluoro-2-methylbenzene;1-tert-butyl-4-methoxy-2,5-dimethylbenzene;1-tert-butyl-2-methylbenzene;2-tert-butylnaphthalene;1-tert-butyl-4-phenylbenzene;8-tert-butylquinoline;1-tert-butyl-4-(trifluoromethoxy)benzene;methane

9-tert-butylanthracene;6-tert-butyl-8-chloro-2,2-dimethyl-3,4-dihydrochromene;1-tert-butyl-3-chloro-5-methylbenzene;4-tert-butyl-1-chloro-2-methylbenzene;7-tert-butyl-5-chloro-4-methyl-2,3-dihydro-1,4-benzoxazine;6-tert-butyl-8-chloro-1-methyl-3,4-dihydro-2H-quinoline;5-tert-butyl-2,3-dihydro-1-benzofuran;6-tert-butyl-2,2-dimethyl-3,4-dihydrochromene;1-tert-butyl-2-(4-ethylphenoxy)benzene;1-tert-butyl-3-fluorobenzene;1-tert-butyl-4-fluorobenzene;4-tert-butyl-1-fluoro-2-methylbenzene;1-tert-butyl-4-methoxy-2,5-dimethylbenzene;1-tert-butyl-2-methylbenzene;2-tert-butylnaphthalene;1-tert-butyl-4-phenylbenzene;8-tert-butylquinoline;1-tert-butyl-4-(trifluoromethoxy)benzene;methane (PubChem CID 159650982) has the molecular formula C237H310Cl5F6N3O7 and a molecular weight of 3604.35 g/mol. Its IUPAC name is 9-tert-butylanthracene;6-tert-butyl-8-chloro-2,2-dimethyl-3,4-dihydrochromene;1-tert-butyl-3-chloro-5-methylbenzene;4-tert-butyl-1-chloro-2-methylbenzene;7-tert-butyl-5-chloro-4-methyl-2,3-dihydro-1,4-benzoxazine;6-tert-butyl-8-chloro-1-methyl-3,4-dihydro-2H-quinoline;5-tert-butyl-2,3-dihydro-1-benzofuran;6-tert-butyl-2,2-dimethyl-3,4-dihydrochromene;1-tert-butyl-2-(4-ethylphenoxy)benzene;1-tert-butyl-3-fluorobenzene;1-tert-butyl-4-fluorobenzene;4-tert-butyl-1-fluoro-2-methylbenzene;1-tert-butyl-4-methoxy-2,5-dimethylbenzene;1-tert-butyl-2-methylbenzene;2-tert-butylnaphthalene;1-tert-butyl-4-phenylbenzene;8-tert-butylquinoline;1-tert-butyl-4-(trifluoromethoxy)benzene;methane.

Molecular Properties

Compound Name9-tert-butylanthracene;6-tert-butyl-8-chloro-2,2-dimethyl-3,4-dihydrochromene;1-tert-butyl-3-chloro-5-methylbenzene;4-tert-butyl-1-chloro-2-methylbenzene;7-tert-butyl-5-chloro-4-methyl-2,3-dihydro-1,4-benzoxazine;6-tert-butyl-8-chloro-1-methyl-3,4-dihydro-2H-quinoline;5-tert-butyl-2,3-dihydro-1-benzofuran;6-tert-butyl-2,2-dimethyl-3,4-dihydrochromene;1-tert-butyl-2-(4-ethylphenoxy)benzene;1-tert-butyl-3-fluorobenzene;1-tert-butyl-4-fluorobenzene;4-tert-butyl-1-fluoro-2-methylbenzene;1-tert-butyl-4-methoxy-2,5-dimethylbenzene;1-tert-butyl-2-methylbenzene;2-tert-butylnaphthalene;1-tert-butyl-4-phenylbenzene;8-tert-butylquinoline;1-tert-butyl-4-(trifluoromethoxy)benzene;methane
PubChem CID159650982
Molecular FormulaC237H310Cl5F6N3O7
Molecular Weight3604.35 g/mol
Exact Mass3599.23
IUPAC Name9-tert-butylanthracene;6-tert-butyl-8-chloro-2,2-dimethyl-3,4-dihydrochromene;1-tert-butyl-3-chloro-5-methylbenzene;4-tert-butyl-1-chloro-2-methylbenzene;7-tert-butyl-5-chloro-4-methyl-2,3-dihydro-1,4-benzoxazine;6-tert-butyl-8-chloro-1-methyl-3,4-dihydro-2H-quinoline;5-tert-butyl-2,3-dihydro-1-benzofuran;6-tert-butyl-2,2-dimethyl-3,4-dihydrochromene;1-tert-butyl-2-(4-ethylphenoxy)benzene;1-tert-butyl-3-fluorobenzene;1-tert-butyl-4-fluorobenzene;4-tert-butyl-1-fluoro-2-methylbenzene;1-tert-butyl-4-methoxy-2,5-dimethylbenzene;1-tert-butyl-2-methylbenzene;2-tert-butylnaphthalene;1-tert-butyl-4-phenylbenzene;8-tert-butylquinoline;1-tert-butyl-4-(trifluoromethoxy)benzene;methane
SMILESC.CC(C)(C)c1c2ccccc2cc2ccccc12.CC(C)(C)c1ccc(-c2ccccc2)cc1.CC(C)(C)c1ccc(F)cc1.CC(C)(C)c1ccc(OC(F)(F)F)cc1.CC(C)(C)c1ccc2c(c1)CCO2.CC(C)(C)c1ccc2ccccc2c1.CC(C)(C)c1cccc(F)c1.CC(C)(C)c1cccc2cccnc12.CC1(C)CCc2cc(C(C)(C)C)cc(Cl)c2O1.CC1(C)CCc2cc(C(C)(C)C)ccc2O1.CCc1ccc(Oc2ccccc2C(C)(C)C)cc1.CN1CCCc2cc(C(C)(C)C)cc(Cl)c21.CN1CCOc2cc(C(C)(C)C)cc(Cl)c21.COc1cc(C)c(C(C)(C)C)cc1C.Cc1cc(C(C)(C)C)ccc1Cl.Cc1cc(C(C)(C)C)ccc1F.Cc1cc(Cl)cc(C(C)(C)C)c1.Cc1ccccc1C(C)(C)C
InChIInChI=1S/C18H22O.C18H18.C16H18.C15H21ClO.C15H22O.C14H20ClN.C14H16.C13H18ClNO.C13H15N.C13H20O.C12H16O.2C11H15Cl.C11H13F3O.C11H15F.C11H16.2C10H13F.CH4/c1-5-14-10-12-15(13-11-14)19-17-9-7-6-8-16(17)18(2,3)4;1-18(2,3)17-15-10-6-4-8-13(15)12-14-9-5-7-11-16(14)17;1-16(2,3)15-11-9-14(10-12-15)13-7-5-4-6-8-13;1-14(2,3)11-8-10-6-7-15(4,5)17-13(10)12(16)9-11;1-14(2,3)12-6-7-13-11(10-12)8-9-15(4,5)16-13;1-14(2,3)11-8-10-6-5-7-16(4)13(10)12(15)9-11;1-14(2,3)13-9-8-11-6-4-5-7-12(11)10-13;1-13(2,3)9-7-10(14)12-11(8-9)16-6-5-15(12)4;1-13(2,3)11-8-4-6-10-7-5-9-14-12(10)11;1-9-8-12(14-6)10(2)7-11(9)13(3,4)5;1-12(2,3)10-4-5-11-9(8-10)6-7-13-11;1-8-5-9(11(2,3)4)7-10(12)6-8;1-8-7-9(11(2,3)4)5-6-10(8)12;1-10(2,3)8-4-6-9(7-5-8)15-11(12,13)14;1-8-7-9(11(2,3)4)5-6-10(8)12;1-9-7-5-6-8-10(9)11(2,3)4;1-10(2,3)8-4-6-9(11)7-5-8;1-10(2,3)8-5-4-6-9(11)7-8;/h6-13H,5H2,1-4H3;4-12H,1-3H3;4-12H,1-3H3;8-9H,6-7H2,1-5H3;6-7,10H,8-9H2,1-5H3;8-9H,5-7H2,1-4H3;4-10H,1-3H3;7-8H,5-6H2,1-4H3;4-9H,1-3H3;7-8H,1-6H3;4-5,8H,6-7H2,1-3H3;2*5-7H,1-4H3;4-7H,1-3H3;5-7H,1-4H3;5-8H,1-4H3;2*4-7H,1-3H3;1H4
InChIKeyMROITRYPLWVTEY-UHFFFAOYSA-N
XLogP71.17
TPSA83.98 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms258
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003604.35
LogP ≤ 571.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 9-tert-butylanthracene;6-tert-butyl-8-chloro-2,2-dimethyl-3,4-dihydrochromene;1-tert-butyl-3-chloro-5-methylbenzene;4-tert-butyl-1-chloro-2-methylbenzene;7-tert-butyl-5-chloro-4-methyl-2,3-dihydro-1,4-benzoxazine;6-tert-butyl-8-chloro-1-methyl-3,4-dihydro-2H-quinoline;5-tert-butyl-2,3-dihydro-1-benzofuran;6-tert-butyl-2,2-dimethyl-3,4-dihydrochromene;1-tert-butyl-2-(4-ethylphenoxy)benzene;1-tert-butyl-3-fluorobenzene;1-tert-butyl-4-fluorobenzene;4-tert-butyl-1-fluoro-2-methylbenzene;1-tert-butyl-4-methoxy-2,5-dimethylbenzene;1-tert-butyl-2-methylbenzene;2-tert-butylnaphthalene;1-tert-butyl-4-phenylbenzene;8-tert-butylquinoline;1-tert-butyl-4-(trifluoromethoxy)benzene;methane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-tert-butylanthracene;6-tert-butyl-8-chloro-2,2-dimethyl-3,4-dihydrochromene;1-tert-butyl-3-chloro-5-methylbenzene;4-tert-butyl-1-chloro-2-methylbenzene;7-tert-butyl-5-chloro-4-methyl-2,3-dihydro-1,4-benzoxazine;6-tert-butyl-8-chloro-1-methyl-3,4-dihydro-2H-quinoline;5-tert-butyl-2,3-dihydro-1-benzofuran;6-tert-butyl-2,2-dimethyl-3,4-dihydrochromene;1-tert-butyl-2-(4-ethylphenoxy)benzene;1-tert-butyl-3-fluorobenzene;1-tert-butyl-4-fluorobenzene;4-tert-butyl-1-fluoro-2-methylbenzene;1-tert-butyl-4-methoxy-2,5-dimethylbenzene;1-tert-butyl-2-methylbenzene;2-tert-butylnaphthalene;1-tert-butyl-4-phenylbenzene;8-tert-butylquinoline;1-tert-butyl-4-(trifluoromethoxy)benzene;methane?
The IUPAC name of 9-tert-butylanthracene;6-tert-butyl-8-chloro-2,2-dimethyl-3,4-dihydrochromene;1-tert-butyl-3-chloro-5-methylbenzene;4-tert-butyl-1-chloro-2-methylbenzene;7-tert-butyl-5-chloro-4-methyl-2,3-dihydro-1,4-benzoxazine;6-tert-butyl-8-chloro-1-methyl-3,4-dihydro-2H-quinoline;5-tert-butyl-2,3-dihydro-1-benzofuran;6-tert-butyl-2,2-dimethyl-3,4-dihydrochromene;1-tert-butyl-2-(4-ethylphenoxy)benzene;1-tert-butyl-3-fluorobenzene;1-tert-butyl-4-fluorobenzene;4-tert-butyl-1-fluoro-2-methylbenzene;1-tert-butyl-4-methoxy-2,5-dimethylbenzene;1-tert-butyl-2-methylbenzene;2-tert-butylnaphthalene;1-tert-butyl-4-phenylbenzene;8-tert-butylquinoline;1-tert-butyl-4-(trifluoromethoxy)benzene;methane (CID 159650982) is 9-tert-butylanthracene;6-tert-butyl-8-chloro-2,2-dimethyl-3,4-dihydrochromene;1-tert-butyl-3-chloro-5-methylbenzene;4-tert-butyl-1-chloro-2-methylbenzene;7-tert-butyl-5-chloro-4-methyl-2,3-dihydro-1,4-benzoxazine;6-tert-butyl-8-chloro-1-methyl-3,4-dihydro-2H-quinoline;5-tert-butyl-2,3-dihydro-1-benzofuran;6-tert-butyl-2,2-dimethyl-3,4-dihydrochromene;1-tert-butyl-2-(4-ethylphenoxy)benzene;1-tert-butyl-3-fluorobenzene;1-tert-butyl-4-fluorobenzene;4-tert-butyl-1-fluoro-2-methylbenzene;1-tert-butyl-4-methoxy-2,5-dimethylbenzene;1-tert-butyl-2-methylbenzene;2-tert-butylnaphthalene;1-tert-butyl-4-phenylbenzene;8-tert-butylquinoline;1-tert-butyl-4-(trifluoromethoxy)benzene;methane.
What is the SMILES notation for 9-tert-butylanthracene;6-tert-butyl-8-chloro-2,2-dimethyl-3,4-dihydrochromene;1-tert-butyl-3-chloro-5-methylbenzene;4-tert-butyl-1-chloro-2-methylbenzene;7-tert-butyl-5-chloro-4-methyl-2,3-dihydro-1,4-benzoxazine;6-tert-butyl-8-chloro-1-methyl-3,4-dihydro-2H-quinoline;5-tert-butyl-2,3-dihydro-1-benzofuran;6-tert-butyl-2,2-dimethyl-3,4-dihydrochromene;1-tert-butyl-2-(4-ethylphenoxy)benzene;1-tert-butyl-3-fluorobenzene;1-tert-butyl-4-fluorobenzene;4-tert-butyl-1-fluoro-2-methylbenzene;1-tert-butyl-4-methoxy-2,5-dimethylbenzene;1-tert-butyl-2-methylbenzene;2-tert-butylnaphthalene;1-tert-butyl-4-phenylbenzene;8-tert-butylquinoline;1-tert-butyl-4-(trifluoromethoxy)benzene;methane?
The canonical SMILES for 9-tert-butylanthracene;6-tert-butyl-8-chloro-2,2-dimethyl-3,4-dihydrochromene;1-tert-butyl-3-chloro-5-methylbenzene;4-tert-butyl-1-chloro-2-methylbenzene;7-tert-butyl-5-chloro-4-methyl-2,3-dihydro-1,4-benzoxazine;6-tert-butyl-8-chloro-1-methyl-3,4-dihydro-2H-quinoline;5-tert-butyl-2,3-dihydro-1-benzofuran;6-tert-butyl-2,2-dimethyl-3,4-dihydrochromene;1-tert-butyl-2-(4-ethylphenoxy)benzene;1-tert-butyl-3-fluorobenzene;1-tert-butyl-4-fluorobenzene;4-tert-butyl-1-fluoro-2-methylbenzene;1-tert-butyl-4-methoxy-2,5-dimethylbenzene;1-tert-butyl-2-methylbenzene;2-tert-butylnaphthalene;1-tert-butyl-4-phenylbenzene;8-tert-butylquinoline;1-tert-butyl-4-(trifluoromethoxy)benzene;methane is C.CC(C)(C)c1c2ccccc2cc2ccccc12.CC(C)(C)c1ccc(-c2ccccc2)cc1.CC(C)(C)c1ccc(F)cc1.CC(C)(C)c1ccc(OC(F)(F)F)cc1.CC(C)(C)c1ccc2c(c1)CCO2.CC(C)(C)c1ccc2ccccc2c1.CC(C)(C)c1cccc(F)c1.CC(C)(C)c1cccc2cccnc12.CC1(C)CCc2cc(C(C)(C)C)cc(Cl)c2O1.CC1(C)CCc2cc(C(C)(C)C)ccc2O1.CCc1ccc(Oc2ccccc2C(C)(C)C)cc1.CN1CCCc2cc(C(C)(C)C)cc(Cl)c21.CN1CCOc2cc(C(C)(C)C)cc(Cl)c21.COc1cc(C)c(C(C)(C)C)cc1C.Cc1cc(C(C)(C)C)ccc1Cl.Cc1cc(C(C)(C)C)ccc1F.Cc1cc(Cl)cc(C(C)(C)C)c1.Cc1ccccc1C(C)(C)C.
What is the InChIKey of 9-tert-butylanthracene;6-tert-butyl-8-chloro-2,2-dimethyl-3,4-dihydrochromene;1-tert-butyl-3-chloro-5-methylbenzene;4-tert-butyl-1-chloro-2-methylbenzene;7-tert-butyl-5-chloro-4-methyl-2,3-dihydro-1,4-benzoxazine;6-tert-butyl-8-chloro-1-methyl-3,4-dihydro-2H-quinoline;5-tert-butyl-2,3-dihydro-1-benzofuran;6-tert-butyl-2,2-dimethyl-3,4-dihydrochromene;1-tert-butyl-2-(4-ethylphenoxy)benzene;1-tert-butyl-3-fluorobenzene;1-tert-butyl-4-fluorobenzene;4-tert-butyl-1-fluoro-2-methylbenzene;1-tert-butyl-4-methoxy-2,5-dimethylbenzene;1-tert-butyl-2-methylbenzene;2-tert-butylnaphthalene;1-tert-butyl-4-phenylbenzene;8-tert-butylquinoline;1-tert-butyl-4-(trifluoromethoxy)benzene;methane?
The InChIKey is MROITRYPLWVTEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O.C18H18.C16H18.C15H21ClO.C15H22O.C14H20ClN.C14H16.C13H18ClNO.C13H15N.C13H20O.C12H16O.2C11H15Cl.C11H13F3O.C11H15F.C11H16.2C10H13F.CH4/c1-5-14-10-12-15(13-11-14)19-17-9-7-6-8-16(17)18(2,3)4;1-18(2,3)17-15-10-6-4-8-13(15)12-14-9-5-7-11-16(14)17;1-16(2,3)15-11-9-14(10-12-15)13-7-5-4-6-8-13;1-14(2,3)11-8-10-6-7-15(4,5)17-13(10)12(16)9-11;1-14(2,3)12-6-7-13-11(10-12)8-9-15(4,5)16-13;1-14(2,3)11-8-10-6-5-7-16(4)13(10)12(15)9-11;1-14(2,3)13-9-8-11-6-4-5-7-12(11)10-13;1-13(2,3)9-7-10(14)12-11(8-9)16-6-5-15(12)4;1-13(2,3)11-8-4-6-10-7-5-9-14-12(10)11;1-9-8-12(14-6)10(2)7-11(9)13(3,4)5;1-12(2,3)10-4-5-11-9(8-10)6-7-13-11;1-8-5-9(11(2,3)4)7-10(12)6-8;1-8-7-9(11(2,3)4)5-6-10(8)12;1-10(2,3)8-4-6-9(7-5-8)15-11(12,13)14;1-8-7-9(11(2,3)4)5-6-10(8)12;1-9-7-5-6-8-10(9)11(2,3)4;1-10(2,3)8-4-6-9(11)7-5-8;1-10(2,3)8-5-4-6-9(11)7-8;/h6-13H,5H2,1-4H3;4-12H,1-3H3;4-12H,1-3H3;8-9H,6-7H2,1-5H3;6-7,10H,8-9H2,1-5H3;8-9H,5-7H2,1-4H3;4-10H,1-3H3;7-8H,5-6H2,1-4H3;4-9H,1-3H3;7-8H,1-6H3;4-5,8H,6-7H2,1-3H3;2*5-7H,1-4H3;4-7H,1-3H3;5-7H,1-4H3;5-8H,1-4H3;2*4-7H,1-3H3;1H4.
What are the key properties of 9-tert-butylanthracene;6-tert-butyl-8-chloro-2,2-dimethyl-3,4-dihydrochromene;1-tert-butyl-3-chloro-5-methylbenzene;4-tert-butyl-1-chloro-2-methylbenzene;7-tert-butyl-5-chloro-4-methyl-2,3-dihydro-1,4-benzoxazine;6-tert-butyl-8-chloro-1-methyl-3,4-dihydro-2H-quinoline;5-tert-butyl-2,3-dihydro-1-benzofuran;6-tert-butyl-2,2-dimethyl-3,4-dihydrochromene;1-tert-butyl-2-(4-ethylphenoxy)benzene;1-tert-butyl-3-fluorobenzene;1-tert-butyl-4-fluorobenzene;4-tert-butyl-1-fluoro-2-methylbenzene;1-tert-butyl-4-methoxy-2,5-dimethylbenzene;1-tert-butyl-2-methylbenzene;2-tert-butylnaphthalene;1-tert-butyl-4-phenylbenzene;8-tert-butylquinoline;1-tert-butyl-4-(trifluoromethoxy)benzene;methane?
9-tert-butylanthracene;6-tert-butyl-8-chloro-2,2-dimethyl-3,4-dihydrochromene;1-tert-butyl-3-chloro-5-methylbenzene;4-tert-butyl-1-chloro-2-methylbenzene;7-tert-butyl-5-chloro-4-methyl-2,3-dihydro-1,4-benzoxazine;6-tert-butyl-8-chloro-1-methyl-3,4-dihydro-2H-quinoline;5-tert-butyl-2,3-dihydro-1-benzofuran;6-tert-butyl-2,2-dimethyl-3,4-dihydrochromene;1-tert-butyl-2-(4-ethylphenoxy)benzene;1-tert-butyl-3-fluorobenzene;1-tert-butyl-4-fluorobenzene;4-tert-butyl-1-fluoro-2-methylbenzene;1-tert-butyl-4-methoxy-2,5-dimethylbenzene;1-tert-butyl-2-methylbenzene;2-tert-butylnaphthalene;1-tert-butyl-4-phenylbenzene;8-tert-butylquinoline;1-tert-butyl-4-(trifluoromethoxy)benzene;methane has a molecular weight of 3604.35 g/mol, XLogP of 71.17, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 9-tert-butylanthracene;6-tert-butyl-8-chloro-2,2-dimethyl-3,4-dihydrochromene;1-tert-butyl-3-chloro-5-methylbenzene;4-tert-butyl-1-chloro-2-methylbenzene;7-tert-butyl-5-chloro-4-methyl-2,3-dihydro-1,4-benzoxazine;6-tert-butyl-8-chloro-1-methyl-3,4-dihydro-2H-quinoline;5-tert-butyl-2,3-dihydro-1-benzofuran;6-tert-butyl-2,2-dimethyl-3,4-dihydrochromene;1-tert-butyl-2-(4-ethylphenoxy)benzene;1-tert-butyl-3-fluorobenzene;1-tert-butyl-4-fluorobenzene;4-tert-butyl-1-fluoro-2-methylbenzene;1-tert-butyl-4-methoxy-2,5-dimethylbenzene;1-tert-butyl-2-methylbenzene;2-tert-butylnaphthalene;1-tert-butyl-4-phenylbenzene;8-tert-butylquinoline;1-tert-butyl-4-(trifluoromethoxy)benzene;methane is sourced from PubChem (CID 159650982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).