1-bromo-3-propan-2-ylbenzene;4-tert-butylcyclohexa-2,4-dien-1-one;5-tert-butyl-1,2-dimethylpyridin-1-ium;5-tert-butyl-2-ethoxypyridine;5-tert-butyl-2-methoxypyridine;1-tert-butyl-2-methylbenzene;bis(1-tert-butyl-3-methylbenzene);1-tert-butyl-4-methylnaphthalene;5-tert-butyl-2-methylphenol;3-tert-butyl-6-methyl-1H-pyridin-2-one;5-tert-butyl-1-methylpyridin-2-one;3-tert-butyl-1-oxidopyridin-1-ium;1-chloro-3-propan-2-ylbenzene;cumene;1-fluoro-3-propan-2-ylbenzene;2-methyl-5-propan-2-yl-1H-pyridin-4-one;5-propan-2-yl-1H-indole;1-propan-2-ylnaphthalene;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-ylpyrimidine

C237H327BrClFN15O8+ — CID 157433328

IUPAC1-bromo-3-propan-2-ylbenzene;4-tert-butylcyclohexa-2,4-dien-1-one;5-tert-butyl-1,2-dimethylpyridin-1-ium;5-tert-butyl-2-ethoxypyridine;5-tert-butyl-2-methoxypyridine;1-tert-butyl-2-methylbenzene;bis(1-tert-butyl-3-methylbenzene);1-tert-butyl-4-methylnaphthalene;5-tert-butyl-2-methylphenol;3-tert-butyl-6-methyl-1H-pyridin-2-one;5-tert-butyl-1-methylpyridin-2-one;3-tert-butyl-1-oxidopyridin-1-ium;1-chloro-3-propan-2-ylbenzene;cumene;1-fluoro-3-propan-2-ylbenzene;2-methyl-5-propan-2-yl-1H-pyridin-4-one;5-propan-2-yl-1H-indole;1-propan-2-ylnaphthalene;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-ylpyrimidine
SMILESCC(C)(C)C1=CCC(=O)C=C1.CC(C)(C)c1ccc[n+]([O-])c1.CC(C)c1ccc2[nH]ccc2c1.CC(C)c1cccc(Br)c1.CC(C)c1cccc(Cl)c1.CC(C)c1cccc(F)c1.CC(C)c1cccc2ccccc12.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccncc1.CC(C)c1cnccn1.CC(C)c1cncnc1.CCOc1ccc(C(C)(C)C)cn1.COc1ccc(C(C)(C)C)cn1.Cc1cc(=O)c(C(C)C)c[nH]1.Cc1ccc(C(C)(C)C)c(=O)[nH]1.Cc1ccc(C(C)(C)C)c2ccccc12.Cc1ccc(C(C)(C)C)c[n+]1C.Cc1ccc(C(C)(C)C)cc1O.Cc1cccc(C(C)(C)C)c1.Cc1cccc(C(C)(C)C)c1.Cc1ccccc1C(C)(C)C.Cn1cc(C(C)(C)C)ccc1=O
InChIInChI=1S/C15H18.C13H14.C11H17NO.C11H13N.C11H18N.C11H16O.3C11H16.3C10H15NO.C10H14O.C9H11Br.C9H11Cl.C9H11F.2C9H13NO.C9H12.3C8H11N.2C7H10N2/c1-11-9-10-14(15(2,3)4)13-8-6-5-7-12(11)13;1-10(2)12-9-5-7-11-6-3-4-8-13(11)12;1-5-13-10-7-6-9(8-12-10)11(2,3)4;1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-9-6-7-10(8-12(9)5)11(2,3)4;1-8-5-6-9(7-10(8)12)11(2,3)4;2*1-9-6-5-7-10(8-9)11(2,3)4;1-9-7-5-6-8-10(9)11(2,3)4;1-10(2,3)8-5-6-9(12-4)11-7-8;1-10(2,3)8-5-6-9(12)11(4)7-8;1-7-5-6-8(9(12)11-7)10(2,3)4;1-10(2,3)8-4-6-9(11)7-5-8;3*1-7(2)8-4-3-5-9(10)6-8;1-6(2)8-5-10-7(3)4-9(8)11;1-9(2,3)8-5-4-6-10(11)7-8;1-8(2)9-6-4-3-5-7-9;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-6(2)7-3-8-5-9-4-7;1-6(2)7-5-8-3-4-9-7/h5-10H,1-4H3;3-10H,1-2H3;6-8H,5H2,1-4H3;3-8,12H,1-2H3;6-8H,1-5H3;5-7,12H,1-4H3;3*5-8H,1-4H3;2*5-7H,1-4H3;5-6H,1-4H3,(H,11,12);4-6H,7H2,1-3H3;3*3-7H,1-2H3;4-6H,1-3H3,(H,10,11);4-7H,1-3H3;3-8H,1-2H3;3*3-7H,1-2H3;2*3-6H,1-2H3/q;;;;+1;;;;;;;;;;;;;;;;;;;
InChIKeyBQUNZUVHBXXPPR-UHFFFAOYSA-N
MW3648.67 g/mol
LogP64.04
Rot. Bonds15

About 1-bromo-3-propan-2-ylbenzene;4-tert-butylcyclohexa-2,4-dien-1-one;5-tert-butyl-1,2-dimethylpyridin-1-ium;5-tert-butyl-2-ethoxypyridine;5-tert-butyl-2-methoxypyridine;1-tert-butyl-2-methylbenzene;bis(1-tert-butyl-3-methylbenzene);1-tert-butyl-4-methylnaphthalene;5-tert-butyl-2-methylphenol;3-tert-butyl-6-methyl-1H-pyridin-2-one;5-tert-butyl-1-methylpyridin-2-one;3-tert-butyl-1-oxidopyridin-1-ium;1-chloro-3-propan-2-ylbenzene;cumene;1-fluoro-3-propan-2-ylbenzene;2-methyl-5-propan-2-yl-1H-pyridin-4-one;5-propan-2-yl-1H-indole;1-propan-2-ylnaphthalene;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-ylpyrimidine

1-bromo-3-propan-2-ylbenzene;4-tert-butylcyclohexa-2,4-dien-1-one;5-tert-butyl-1,2-dimethylpyridin-1-ium;5-tert-butyl-2-ethoxypyridine;5-tert-butyl-2-methoxypyridine;1-tert-butyl-2-methylbenzene;bis(1-tert-butyl-3-methylbenzene);1-tert-butyl-4-methylnaphthalene;5-tert-butyl-2-methylphenol;3-tert-butyl-6-methyl-1H-pyridin-2-one;5-tert-butyl-1-methylpyridin-2-one;3-tert-butyl-1-oxidopyridin-1-ium;1-chloro-3-propan-2-ylbenzene;cumene;1-fluoro-3-propan-2-ylbenzene;2-methyl-5-propan-2-yl-1H-pyridin-4-one;5-propan-2-yl-1H-indole;1-propan-2-ylnaphthalene;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-ylpyrimidine (PubChem CID 157433328) has the molecular formula C237H327BrClFN15O8+ and a molecular weight of 3648.67 g/mol. Its IUPAC name is 1-bromo-3-propan-2-ylbenzene;4-tert-butylcyclohexa-2,4-dien-1-one;5-tert-butyl-1,2-dimethylpyridin-1-ium;5-tert-butyl-2-ethoxypyridine;5-tert-butyl-2-methoxypyridine;1-tert-butyl-2-methylbenzene;bis(1-tert-butyl-3-methylbenzene);1-tert-butyl-4-methylnaphthalene;5-tert-butyl-2-methylphenol;3-tert-butyl-6-methyl-1H-pyridin-2-one;5-tert-butyl-1-methylpyridin-2-one;3-tert-butyl-1-oxidopyridin-1-ium;1-chloro-3-propan-2-ylbenzene;cumene;1-fluoro-3-propan-2-ylbenzene;2-methyl-5-propan-2-yl-1H-pyridin-4-one;5-propan-2-yl-1H-indole;1-propan-2-ylnaphthalene;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-ylpyrimidine.

Molecular Properties

Compound Name1-bromo-3-propan-2-ylbenzene;4-tert-butylcyclohexa-2,4-dien-1-one;5-tert-butyl-1,2-dimethylpyridin-1-ium;5-tert-butyl-2-ethoxypyridine;5-tert-butyl-2-methoxypyridine;1-tert-butyl-2-methylbenzene;bis(1-tert-butyl-3-methylbenzene);1-tert-butyl-4-methylnaphthalene;5-tert-butyl-2-methylphenol;3-tert-butyl-6-methyl-1H-pyridin-2-one;5-tert-butyl-1-methylpyridin-2-one;3-tert-butyl-1-oxidopyridin-1-ium;1-chloro-3-propan-2-ylbenzene;cumene;1-fluoro-3-propan-2-ylbenzene;2-methyl-5-propan-2-yl-1H-pyridin-4-one;5-propan-2-yl-1H-indole;1-propan-2-ylnaphthalene;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-ylpyrimidine
PubChem CID157433328
Molecular FormulaC237H327BrClFN15O8+
Molecular Weight3648.67 g/mol
Exact Mass3644.45
IUPAC Name1-bromo-3-propan-2-ylbenzene;4-tert-butylcyclohexa-2,4-dien-1-one;5-tert-butyl-1,2-dimethylpyridin-1-ium;5-tert-butyl-2-ethoxypyridine;5-tert-butyl-2-methoxypyridine;1-tert-butyl-2-methylbenzene;bis(1-tert-butyl-3-methylbenzene);1-tert-butyl-4-methylnaphthalene;5-tert-butyl-2-methylphenol;3-tert-butyl-6-methyl-1H-pyridin-2-one;5-tert-butyl-1-methylpyridin-2-one;3-tert-butyl-1-oxidopyridin-1-ium;1-chloro-3-propan-2-ylbenzene;cumene;1-fluoro-3-propan-2-ylbenzene;2-methyl-5-propan-2-yl-1H-pyridin-4-one;5-propan-2-yl-1H-indole;1-propan-2-ylnaphthalene;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-ylpyrimidine
SMILESCC(C)(C)C1=CCC(=O)C=C1.CC(C)(C)c1ccc[n+]([O-])c1.CC(C)c1ccc2[nH]ccc2c1.CC(C)c1cccc(Br)c1.CC(C)c1cccc(Cl)c1.CC(C)c1cccc(F)c1.CC(C)c1cccc2ccccc12.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccncc1.CC(C)c1cnccn1.CC(C)c1cncnc1.CCOc1ccc(C(C)(C)C)cn1.COc1ccc(C(C)(C)C)cn1.Cc1cc(=O)c(C(C)C)c[nH]1.Cc1ccc(C(C)(C)C)c(=O)[nH]1.Cc1ccc(C(C)(C)C)c2ccccc12.Cc1ccc(C(C)(C)C)c[n+]1C.Cc1ccc(C(C)(C)C)cc1O.Cc1cccc(C(C)(C)C)c1.Cc1cccc(C(C)(C)C)c1.Cc1ccccc1C(C)(C)C.Cn1cc(C(C)(C)C)ccc1=O
InChIInChI=1S/C15H18.C13H14.C11H17NO.C11H13N.C11H18N.C11H16O.3C11H16.3C10H15NO.C10H14O.C9H11Br.C9H11Cl.C9H11F.2C9H13NO.C9H12.3C8H11N.2C7H10N2/c1-11-9-10-14(15(2,3)4)13-8-6-5-7-12(11)13;1-10(2)12-9-5-7-11-6-3-4-8-13(11)12;1-5-13-10-7-6-9(8-12-10)11(2,3)4;1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-9-6-7-10(8-12(9)5)11(2,3)4;1-8-5-6-9(7-10(8)12)11(2,3)4;2*1-9-6-5-7-10(8-9)11(2,3)4;1-9-7-5-6-8-10(9)11(2,3)4;1-10(2,3)8-5-6-9(12-4)11-7-8;1-10(2,3)8-5-6-9(12)11(4)7-8;1-7-5-6-8(9(12)11-7)10(2,3)4;1-10(2,3)8-4-6-9(11)7-5-8;3*1-7(2)8-4-3-5-9(10)6-8;1-6(2)8-5-10-7(3)4-9(8)11;1-9(2,3)8-5-4-6-10(11)7-8;1-8(2)9-6-4-3-5-7-9;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-6(2)7-3-8-5-9-4-7;1-6(2)7-5-8-3-4-9-7/h5-10H,1-4H3;3-10H,1-2H3;6-8H,5H2,1-4H3;3-8,12H,1-2H3;6-8H,1-5H3;5-7,12H,1-4H3;3*5-8H,1-4H3;2*5-7H,1-4H3;5-6H,1-4H3,(H,11,12);4-6H,7H2,1-3H3;3*3-7H,1-2H3;4-6H,1-3H3,(H,10,11);4-7H,1-3H3;3-8H,1-2H3;3*3-7H,1-2H3;2*3-6H,1-2H3/q;;;;+1;;;;;;;;;;;;;;;;;;;
InChIKeyBQUNZUVHBXXPPR-UHFFFAOYSA-N
XLogP64.04
TPSA306.10 Ų
H-Bond Donors4
H-Bond Acceptors18
Rotatable Bonds15
Heavy Atoms263
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003648.67
LogP ≤ 564.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 1-bromo-3-propan-2-ylbenzene;4-tert-butylcyclohexa-2,4-dien-1-one;5-tert-butyl-1,2-dimethylpyridin-1-ium;5-tert-butyl-2-ethoxypyridine;5-tert-butyl-2-methoxypyridine;1-tert-butyl-2-methylbenzene;bis(1-tert-butyl-3-methylbenzene);1-tert-butyl-4-methylnaphthalene;5-tert-butyl-2-methylphenol;3-tert-butyl-6-methyl-1H-pyridin-2-one;5-tert-butyl-1-methylpyridin-2-one;3-tert-butyl-1-oxidopyridin-1-ium;1-chloro-3-propan-2-ylbenzene;cumene;1-fluoro-3-propan-2-ylbenzene;2-methyl-5-propan-2-yl-1H-pyridin-4-one;5-propan-2-yl-1H-indole;1-propan-2-ylnaphthalene;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-ylpyrimidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-propan-2-ylbenzene;4-tert-butylcyclohexa-2,4-dien-1-one;5-tert-butyl-1,2-dimethylpyridin-1-ium;5-tert-butyl-2-ethoxypyridine;5-tert-butyl-2-methoxypyridine;1-tert-butyl-2-methylbenzene;bis(1-tert-butyl-3-methylbenzene);1-tert-butyl-4-methylnaphthalene;5-tert-butyl-2-methylphenol;3-tert-butyl-6-methyl-1H-pyridin-2-one;5-tert-butyl-1-methylpyridin-2-one;3-tert-butyl-1-oxidopyridin-1-ium;1-chloro-3-propan-2-ylbenzene;cumene;1-fluoro-3-propan-2-ylbenzene;2-methyl-5-propan-2-yl-1H-pyridin-4-one;5-propan-2-yl-1H-indole;1-propan-2-ylnaphthalene;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-ylpyrimidine?
The IUPAC name of 1-bromo-3-propan-2-ylbenzene;4-tert-butylcyclohexa-2,4-dien-1-one;5-tert-butyl-1,2-dimethylpyridin-1-ium;5-tert-butyl-2-ethoxypyridine;5-tert-butyl-2-methoxypyridine;1-tert-butyl-2-methylbenzene;bis(1-tert-butyl-3-methylbenzene);1-tert-butyl-4-methylnaphthalene;5-tert-butyl-2-methylphenol;3-tert-butyl-6-methyl-1H-pyridin-2-one;5-tert-butyl-1-methylpyridin-2-one;3-tert-butyl-1-oxidopyridin-1-ium;1-chloro-3-propan-2-ylbenzene;cumene;1-fluoro-3-propan-2-ylbenzene;2-methyl-5-propan-2-yl-1H-pyridin-4-one;5-propan-2-yl-1H-indole;1-propan-2-ylnaphthalene;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-ylpyrimidine (CID 157433328) is 1-bromo-3-propan-2-ylbenzene;4-tert-butylcyclohexa-2,4-dien-1-one;5-tert-butyl-1,2-dimethylpyridin-1-ium;5-tert-butyl-2-ethoxypyridine;5-tert-butyl-2-methoxypyridine;1-tert-butyl-2-methylbenzene;bis(1-tert-butyl-3-methylbenzene);1-tert-butyl-4-methylnaphthalene;5-tert-butyl-2-methylphenol;3-tert-butyl-6-methyl-1H-pyridin-2-one;5-tert-butyl-1-methylpyridin-2-one;3-tert-butyl-1-oxidopyridin-1-ium;1-chloro-3-propan-2-ylbenzene;cumene;1-fluoro-3-propan-2-ylbenzene;2-methyl-5-propan-2-yl-1H-pyridin-4-one;5-propan-2-yl-1H-indole;1-propan-2-ylnaphthalene;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-ylpyrimidine.
What is the SMILES notation for 1-bromo-3-propan-2-ylbenzene;4-tert-butylcyclohexa-2,4-dien-1-one;5-tert-butyl-1,2-dimethylpyridin-1-ium;5-tert-butyl-2-ethoxypyridine;5-tert-butyl-2-methoxypyridine;1-tert-butyl-2-methylbenzene;bis(1-tert-butyl-3-methylbenzene);1-tert-butyl-4-methylnaphthalene;5-tert-butyl-2-methylphenol;3-tert-butyl-6-methyl-1H-pyridin-2-one;5-tert-butyl-1-methylpyridin-2-one;3-tert-butyl-1-oxidopyridin-1-ium;1-chloro-3-propan-2-ylbenzene;cumene;1-fluoro-3-propan-2-ylbenzene;2-methyl-5-propan-2-yl-1H-pyridin-4-one;5-propan-2-yl-1H-indole;1-propan-2-ylnaphthalene;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-ylpyrimidine?
The canonical SMILES for 1-bromo-3-propan-2-ylbenzene;4-tert-butylcyclohexa-2,4-dien-1-one;5-tert-butyl-1,2-dimethylpyridin-1-ium;5-tert-butyl-2-ethoxypyridine;5-tert-butyl-2-methoxypyridine;1-tert-butyl-2-methylbenzene;bis(1-tert-butyl-3-methylbenzene);1-tert-butyl-4-methylnaphthalene;5-tert-butyl-2-methylphenol;3-tert-butyl-6-methyl-1H-pyridin-2-one;5-tert-butyl-1-methylpyridin-2-one;3-tert-butyl-1-oxidopyridin-1-ium;1-chloro-3-propan-2-ylbenzene;cumene;1-fluoro-3-propan-2-ylbenzene;2-methyl-5-propan-2-yl-1H-pyridin-4-one;5-propan-2-yl-1H-indole;1-propan-2-ylnaphthalene;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-ylpyrimidine is CC(C)(C)C1=CCC(=O)C=C1.CC(C)(C)c1ccc[n+]([O-])c1.CC(C)c1ccc2[nH]ccc2c1.CC(C)c1cccc(Br)c1.CC(C)c1cccc(Cl)c1.CC(C)c1cccc(F)c1.CC(C)c1cccc2ccccc12.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccncc1.CC(C)c1cnccn1.CC(C)c1cncnc1.CCOc1ccc(C(C)(C)C)cn1.COc1ccc(C(C)(C)C)cn1.Cc1cc(=O)c(C(C)C)c[nH]1.Cc1ccc(C(C)(C)C)c(=O)[nH]1.Cc1ccc(C(C)(C)C)c2ccccc12.Cc1ccc(C(C)(C)C)c[n+]1C.Cc1ccc(C(C)(C)C)cc1O.Cc1cccc(C(C)(C)C)c1.Cc1cccc(C(C)(C)C)c1.Cc1ccccc1C(C)(C)C.Cn1cc(C(C)(C)C)ccc1=O.
What is the InChIKey of 1-bromo-3-propan-2-ylbenzene;4-tert-butylcyclohexa-2,4-dien-1-one;5-tert-butyl-1,2-dimethylpyridin-1-ium;5-tert-butyl-2-ethoxypyridine;5-tert-butyl-2-methoxypyridine;1-tert-butyl-2-methylbenzene;bis(1-tert-butyl-3-methylbenzene);1-tert-butyl-4-methylnaphthalene;5-tert-butyl-2-methylphenol;3-tert-butyl-6-methyl-1H-pyridin-2-one;5-tert-butyl-1-methylpyridin-2-one;3-tert-butyl-1-oxidopyridin-1-ium;1-chloro-3-propan-2-ylbenzene;cumene;1-fluoro-3-propan-2-ylbenzene;2-methyl-5-propan-2-yl-1H-pyridin-4-one;5-propan-2-yl-1H-indole;1-propan-2-ylnaphthalene;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-ylpyrimidine?
The InChIKey is BQUNZUVHBXXPPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18.C13H14.C11H17NO.C11H13N.C11H18N.C11H16O.3C11H16.3C10H15NO.C10H14O.C9H11Br.C9H11Cl.C9H11F.2C9H13NO.C9H12.3C8H11N.2C7H10N2/c1-11-9-10-14(15(2,3)4)13-8-6-5-7-12(11)13;1-10(2)12-9-5-7-11-6-3-4-8-13(11)12;1-5-13-10-7-6-9(8-12-10)11(2,3)4;1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-9-6-7-10(8-12(9)5)11(2,3)4;1-8-5-6-9(7-10(8)12)11(2,3)4;2*1-9-6-5-7-10(8-9)11(2,3)4;1-9-7-5-6-8-10(9)11(2,3)4;1-10(2,3)8-5-6-9(12-4)11-7-8;1-10(2,3)8-5-6-9(12)11(4)7-8;1-7-5-6-8(9(12)11-7)10(2,3)4;1-10(2,3)8-4-6-9(11)7-5-8;3*1-7(2)8-4-3-5-9(10)6-8;1-6(2)8-5-10-7(3)4-9(8)11;1-9(2,3)8-5-4-6-10(11)7-8;1-8(2)9-6-4-3-5-7-9;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-6(2)7-3-8-5-9-4-7;1-6(2)7-5-8-3-4-9-7/h5-10H,1-4H3;3-10H,1-2H3;6-8H,5H2,1-4H3;3-8,12H,1-2H3;6-8H,1-5H3;5-7,12H,1-4H3;3*5-8H,1-4H3;2*5-7H,1-4H3;5-6H,1-4H3,(H,11,12);4-6H,7H2,1-3H3;3*3-7H,1-2H3;4-6H,1-3H3,(H,10,11);4-7H,1-3H3;3-8H,1-2H3;3*3-7H,1-2H3;2*3-6H,1-2H3/q;;;;+1;;;;;;;;;;;;;;;;;;;.
What are the key properties of 1-bromo-3-propan-2-ylbenzene;4-tert-butylcyclohexa-2,4-dien-1-one;5-tert-butyl-1,2-dimethylpyridin-1-ium;5-tert-butyl-2-ethoxypyridine;5-tert-butyl-2-methoxypyridine;1-tert-butyl-2-methylbenzene;bis(1-tert-butyl-3-methylbenzene);1-tert-butyl-4-methylnaphthalene;5-tert-butyl-2-methylphenol;3-tert-butyl-6-methyl-1H-pyridin-2-one;5-tert-butyl-1-methylpyridin-2-one;3-tert-butyl-1-oxidopyridin-1-ium;1-chloro-3-propan-2-ylbenzene;cumene;1-fluoro-3-propan-2-ylbenzene;2-methyl-5-propan-2-yl-1H-pyridin-4-one;5-propan-2-yl-1H-indole;1-propan-2-ylnaphthalene;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-ylpyrimidine?
1-bromo-3-propan-2-ylbenzene;4-tert-butylcyclohexa-2,4-dien-1-one;5-tert-butyl-1,2-dimethylpyridin-1-ium;5-tert-butyl-2-ethoxypyridine;5-tert-butyl-2-methoxypyridine;1-tert-butyl-2-methylbenzene;bis(1-tert-butyl-3-methylbenzene);1-tert-butyl-4-methylnaphthalene;5-tert-butyl-2-methylphenol;3-tert-butyl-6-methyl-1H-pyridin-2-one;5-tert-butyl-1-methylpyridin-2-one;3-tert-butyl-1-oxidopyridin-1-ium;1-chloro-3-propan-2-ylbenzene;cumene;1-fluoro-3-propan-2-ylbenzene;2-methyl-5-propan-2-yl-1H-pyridin-4-one;5-propan-2-yl-1H-indole;1-propan-2-ylnaphthalene;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-ylpyrimidine has a molecular weight of 3648.67 g/mol, XLogP of 64.04, 15 rotatable bonds, 4 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-propan-2-ylbenzene;4-tert-butylcyclohexa-2,4-dien-1-one;5-tert-butyl-1,2-dimethylpyridin-1-ium;5-tert-butyl-2-ethoxypyridine;5-tert-butyl-2-methoxypyridine;1-tert-butyl-2-methylbenzene;bis(1-tert-butyl-3-methylbenzene);1-tert-butyl-4-methylnaphthalene;5-tert-butyl-2-methylphenol;3-tert-butyl-6-methyl-1H-pyridin-2-one;5-tert-butyl-1-methylpyridin-2-one;3-tert-butyl-1-oxidopyridin-1-ium;1-chloro-3-propan-2-ylbenzene;cumene;1-fluoro-3-propan-2-ylbenzene;2-methyl-5-propan-2-yl-1H-pyridin-4-one;5-propan-2-yl-1H-indole;1-propan-2-ylnaphthalene;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-ylpyrimidine is sourced from PubChem (CID 157433328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).