tert-butylbenzene;2-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylthiophene;octakis(2,2-dimethylbutane);3,3-dimethylbutan-2-one;3,3-dimethylbut-1-ene;3,3-dimethylbut-1-yne;2,2-dimethylhexane;2,2-dimethylpentane;4,4-dimethylpent-1-ene;4,4-dimethylpent-1-yne;2,2-dimethylpropanal;octakis(2,2-dimethylpropane);2,2-dimethylpropan-1-imine;2-ethenoxy-2-methylpropane;1-ethoxy-2,2-dimethylpropane;2-ethoxy-2-methylpropane;1-methoxy-2,2-dimethylpropane;2-methoxy-2-methylpropane;2-methylpropan-2-amine;2-methylpropan-2-ol;(2-methylpropan-2-yl)oxybenzene;(2-methylpropan-2-yl)oxymethylbenzene;2-methyl-2-prop-2-enoxypropane;2-methyl-2-prop-2-ynoxypropane;2,2,3,3-tetramethylbutane;2,2,3-trimethylbutane;2,2,3-trimethylpentane;2,2,4-trimethylpentane;N,2,2-trimethylpropan-1-imine

C291H603N5O12S — CID 158263743

IUPACtert-butylbenzene;2-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylthiophene;octakis(2,2-dimethylbutane);3,3-dimethylbutan-2-one;3,3-dimethylbut-1-ene;3,3-dimethylbut-1-yne;2,2-dimethylhexane;2,2-dimethylpentane;4,4-dimethylpent-1-ene;4,4-dimethylpent-1-yne;2,2-dimethylpropanal;octakis(2,2-dimethylpropane);2,2-dimethylpropan-1-imine;2-ethenoxy-2-methylpropane;1-ethoxy-2,2-dimethylpropane;2-ethoxy-2-methylpropane;1-methoxy-2,2-dimethylpropane;2-methoxy-2-methylpropane;2-methylpropan-2-amine;2-methylpropan-2-ol;(2-methylpropan-2-yl)oxybenzene;(2-methylpropan-2-yl)oxymethylbenzene;2-methyl-2-prop-2-enoxypropane;2-methyl-2-prop-2-ynoxypropane;2,2,3,3-tetramethylbutane;2,2,3-trimethylbutane;2,2,3-trimethylpentane;2,2,4-trimethylpentane;N,2,2-trimethylpropan-1-imine
SMILESC#CC(C)(C)C.C#CCC(C)(C)C.C#CCOC(C)(C)C.C/N=C/C(C)(C)C.C=CC(C)(C)C.C=CCC(C)(C)C.C=CCOC(C)(C)C.C=COC(C)(C)C.CC(=O)C(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C(C)(C)C.CC(C)(C)C=O.CC(C)(C)N.CC(C)(C)O.CC(C)(C)OCc1ccccc1.CC(C)(C)Oc1ccccc1.CC(C)(C)c1ccccc1.CC(C)(C)c1ccccn1.CC(C)(C)c1cccs1.CC(C)(C)c1ccncc1.CC(C)C(C)(C)C.CC(C)CC(C)(C)C.CCC(C)(C)C.CCC(C)(C)C.CCC(C)(C)C.CCC(C)(C)C.CCC(C)(C)C.CCC(C)(C)C.CCC(C)(C)C.CCC(C)(C)C.CCC(C)C(C)(C)C.CCCC(C)(C)C.CCCCC(C)(C)C.CCOC(C)(C)C.CCOCC(C)(C)C.COC(C)(C)C.COCC(C)(C)C.[H]/N=C/C(C)(C)C
InChIInChI=1S/C11H16O.C10H14O.C10H14.2C9H13N.C8H12S.4C8H18.C7H16O.C7H14O.C7H12O.2C7H16.C7H14.C7H12.C6H13N.2C6H14O.2C6H12O.8C6H14.C6H12.C6H10.C5H11N.C5H12O.C5H10O.8C5H12.C4H11N.C4H10O/c1-11(2,3)12-9-10-7-5-4-6-8-10;1-10(2,3)11-9-7-5-4-6-8-9;1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)8-4-6-10-7-5-8;1-9(2,3)8-6-4-5-7-10-8;1-8(2,3)7-5-4-6-9-7;1-7(2)6-8(3,4)5;1-7(2,3)8(4,5)6;1-6-7(2)8(3,4)5;1-5-6-7-8(2,3)4;1-5-8-6-7(2,3)4;2*1-5-6-8-7(2,3)4;1-6(2)7(3,4)5;3*1-5-6-7(2,3)4;2*1-6(2,3)5-7-4;2*1-5-7-6(2,3)4;1-5(7)6(2,3)4;10*1-5-6(2,3)4;1-5(2,3)4-6;1-5(2,3)6-4;1-5(2,3)4-6;8*1-5(2,3)4;2*1-4(2,3)5/h4-8H,9H2,1-3H3;4-8H,1-3H3;4-8H,1-3H3;2*4-7H,1-3H3;4-6H,1-3H3;7H,6H2,1-5H3;1-6H3;7H,6H2,1-5H3;5-7H2,1-4H3;5-6H2,1-4H3;5H,1,6H2,2-4H3;1H,6H2,2-4H3;6H,1-5H3;5-6H2,1-4H3;5H,1,6H2,2-4H3;1H,6H2,2-4H3;5H,1-4H3;2*5H2,1-4H3;5H,1H2,2-4H3;1-4H3;8*5H2,1-4H3;5H,1H2,2-4H3;1H,2-4H3;4,6H,1-3H3;1-4H3;4H,1-3H3;8*1-4H3;5H2,1-3H3;5H,1-3H3/b;;;;;;;;;;;;;;;;;7-5+;;;;;;;;;;;;;;;6-4+;;;;;;;;;;;;
InChIKeyGIEMSLCLSUWUNV-DGPDVBLGSA-N
MW4397.11 g/mol
LogP99.30
Rot. Bonds17

About tert-butylbenzene;2-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylthiophene;octakis(2,2-dimethylbutane);3,3-dimethylbutan-2-one;3,3-dimethylbut-1-ene;3,3-dimethylbut-1-yne;2,2-dimethylhexane;2,2-dimethylpentane;4,4-dimethylpent-1-ene;4,4-dimethylpent-1-yne;2,2-dimethylpropanal;octakis(2,2-dimethylpropane);2,2-dimethylpropan-1-imine;2-ethenoxy-2-methylpropane;1-ethoxy-2,2-dimethylpropane;2-ethoxy-2-methylpropane;1-methoxy-2,2-dimethylpropane;2-methoxy-2-methylpropane;2-methylpropan-2-amine;2-methylpropan-2-ol;(2-methylpropan-2-yl)oxybenzene;(2-methylpropan-2-yl)oxymethylbenzene;2-methyl-2-prop-2-enoxypropane;2-methyl-2-prop-2-ynoxypropane;2,2,3,3-tetramethylbutane;2,2,3-trimethylbutane;2,2,3-trimethylpentane;2,2,4-trimethylpentane;N,2,2-trimethylpropan-1-imine

tert-butylbenzene;2-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylthiophene;octakis(2,2-dimethylbutane);3,3-dimethylbutan-2-one;3,3-dimethylbut-1-ene;3,3-dimethylbut-1-yne;2,2-dimethylhexane;2,2-dimethylpentane;4,4-dimethylpent-1-ene;4,4-dimethylpent-1-yne;2,2-dimethylpropanal;octakis(2,2-dimethylpropane);2,2-dimethylpropan-1-imine;2-ethenoxy-2-methylpropane;1-ethoxy-2,2-dimethylpropane;2-ethoxy-2-methylpropane;1-methoxy-2,2-dimethylpropane;2-methoxy-2-methylpropane;2-methylpropan-2-amine;2-methylpropan-2-ol;(2-methylpropan-2-yl)oxybenzene;(2-methylpropan-2-yl)oxymethylbenzene;2-methyl-2-prop-2-enoxypropane;2-methyl-2-prop-2-ynoxypropane;2,2,3,3-tetramethylbutane;2,2,3-trimethylbutane;2,2,3-trimethylpentane;2,2,4-trimethylpentane;N,2,2-trimethylpropan-1-imine (PubChem CID 158263743) has the molecular formula C291H603N5O12S and a molecular weight of 4397.11 g/mol. Its IUPAC name is tert-butylbenzene;2-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylthiophene;octakis(2,2-dimethylbutane);3,3-dimethylbutan-2-one;3,3-dimethylbut-1-ene;3,3-dimethylbut-1-yne;2,2-dimethylhexane;2,2-dimethylpentane;4,4-dimethylpent-1-ene;4,4-dimethylpent-1-yne;2,2-dimethylpropanal;octakis(2,2-dimethylpropane);2,2-dimethylpropan-1-imine;2-ethenoxy-2-methylpropane;1-ethoxy-2,2-dimethylpropane;2-ethoxy-2-methylpropane;1-methoxy-2,2-dimethylpropane;2-methoxy-2-methylpropane;2-methylpropan-2-amine;2-methylpropan-2-ol;(2-methylpropan-2-yl)oxybenzene;(2-methylpropan-2-yl)oxymethylbenzene;2-methyl-2-prop-2-enoxypropane;2-methyl-2-prop-2-ynoxypropane;2,2,3,3-tetramethylbutane;2,2,3-trimethylbutane;2,2,3-trimethylpentane;2,2,4-trimethylpentane;N,2,2-trimethylpropan-1-imine.

Molecular Properties

Compound Nametert-butylbenzene;2-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylthiophene;octakis(2,2-dimethylbutane);3,3-dimethylbutan-2-one;3,3-dimethylbut-1-ene;3,3-dimethylbut-1-yne;2,2-dimethylhexane;2,2-dimethylpentane;4,4-dimethylpent-1-ene;4,4-dimethylpent-1-yne;2,2-dimethylpropanal;octakis(2,2-dimethylpropane);2,2-dimethylpropan-1-imine;2-ethenoxy-2-methylpropane;1-ethoxy-2,2-dimethylpropane;2-ethoxy-2-methylpropane;1-methoxy-2,2-dimethylpropane;2-methoxy-2-methylpropane;2-methylpropan-2-amine;2-methylpropan-2-ol;(2-methylpropan-2-yl)oxybenzene;(2-methylpropan-2-yl)oxymethylbenzene;2-methyl-2-prop-2-enoxypropane;2-methyl-2-prop-2-ynoxypropane;2,2,3,3-tetramethylbutane;2,2,3-trimethylbutane;2,2,3-trimethylpentane;2,2,4-trimethylpentane;N,2,2-trimethylpropan-1-imine
PubChem CID158263743
Molecular FormulaC291H603N5O12S
Molecular Weight4397.11 g/mol
Exact Mass4393.64
IUPAC Nametert-butylbenzene;2-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylthiophene;octakis(2,2-dimethylbutane);3,3-dimethylbutan-2-one;3,3-dimethylbut-1-ene;3,3-dimethylbut-1-yne;2,2-dimethylhexane;2,2-dimethylpentane;4,4-dimethylpent-1-ene;4,4-dimethylpent-1-yne;2,2-dimethylpropanal;octakis(2,2-dimethylpropane);2,2-dimethylpropan-1-imine;2-ethenoxy-2-methylpropane;1-ethoxy-2,2-dimethylpropane;2-ethoxy-2-methylpropane;1-methoxy-2,2-dimethylpropane;2-methoxy-2-methylpropane;2-methylpropan-2-amine;2-methylpropan-2-ol;(2-methylpropan-2-yl)oxybenzene;(2-methylpropan-2-yl)oxymethylbenzene;2-methyl-2-prop-2-enoxypropane;2-methyl-2-prop-2-ynoxypropane;2,2,3,3-tetramethylbutane;2,2,3-trimethylbutane;2,2,3-trimethylpentane;2,2,4-trimethylpentane;N,2,2-trimethylpropan-1-imine
SMILESC#CC(C)(C)C.C#CCC(C)(C)C.C#CCOC(C)(C)C.C/N=C/C(C)(C)C.C=CC(C)(C)C.C=CCC(C)(C)C.C=CCOC(C)(C)C.C=COC(C)(C)C.CC(=O)C(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C(C)(C)C.CC(C)(C)C=O.CC(C)(C)N.CC(C)(C)O.CC(C)(C)OCc1ccccc1.CC(C)(C)Oc1ccccc1.CC(C)(C)c1ccccc1.CC(C)(C)c1ccccn1.CC(C)(C)c1cccs1.CC(C)(C)c1ccncc1.CC(C)C(C)(C)C.CC(C)CC(C)(C)C.CCC(C)(C)C.CCC(C)(C)C.CCC(C)(C)C.CCC(C)(C)C.CCC(C)(C)C.CCC(C)(C)C.CCC(C)(C)C.CCC(C)(C)C.CCC(C)C(C)(C)C.CCCC(C)(C)C.CCCCC(C)(C)C.CCOC(C)(C)C.CCOCC(C)(C)C.COC(C)(C)C.COCC(C)(C)C.[H]/N=C/C(C)(C)C
InChIInChI=1S/C11H16O.C10H14O.C10H14.2C9H13N.C8H12S.4C8H18.C7H16O.C7H14O.C7H12O.2C7H16.C7H14.C7H12.C6H13N.2C6H14O.2C6H12O.8C6H14.C6H12.C6H10.C5H11N.C5H12O.C5H10O.8C5H12.C4H11N.C4H10O/c1-11(2,3)12-9-10-7-5-4-6-8-10;1-10(2,3)11-9-7-5-4-6-8-9;1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)8-4-6-10-7-5-8;1-9(2,3)8-6-4-5-7-10-8;1-8(2,3)7-5-4-6-9-7;1-7(2)6-8(3,4)5;1-7(2,3)8(4,5)6;1-6-7(2)8(3,4)5;1-5-6-7-8(2,3)4;1-5-8-6-7(2,3)4;2*1-5-6-8-7(2,3)4;1-6(2)7(3,4)5;3*1-5-6-7(2,3)4;2*1-6(2,3)5-7-4;2*1-5-7-6(2,3)4;1-5(7)6(2,3)4;10*1-5-6(2,3)4;1-5(2,3)4-6;1-5(2,3)6-4;1-5(2,3)4-6;8*1-5(2,3)4;2*1-4(2,3)5/h4-8H,9H2,1-3H3;4-8H,1-3H3;4-8H,1-3H3;2*4-7H,1-3H3;4-6H,1-3H3;7H,6H2,1-5H3;1-6H3;7H,6H2,1-5H3;5-7H2,1-4H3;5-6H2,1-4H3;5H,1,6H2,2-4H3;1H,6H2,2-4H3;6H,1-5H3;5-6H2,1-4H3;5H,1,6H2,2-4H3;1H,6H2,2-4H3;5H,1-4H3;2*5H2,1-4H3;5H,1H2,2-4H3;1-4H3;8*5H2,1-4H3;5H,1H2,2-4H3;1H,2-4H3;4,6H,1-3H3;1-4H3;4H,1-3H3;8*1-4H3;5H2,1-3H3;5H,1-3H3/b;;;;;;;;;;;;;;;;;7-5+;;;;;;;;;;;;;;;6-4+;;;;;;;;;;;;
InChIKeyGIEMSLCLSUWUNV-DGPDVBLGSA-N
XLogP99.30
TPSA225.45 Ų
H-Bond Donors3
H-Bond Acceptors18
Rotatable Bonds17
Heavy Atoms309
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004397.11
LogP ≤ 599.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1018

Analyze tert-butylbenzene;2-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylthiophene;octakis(2,2-dimethylbutane);3,3-dimethylbutan-2-one;3,3-dimethylbut-1-ene;3,3-dimethylbut-1-yne;2,2-dimethylhexane;2,2-dimethylpentane;4,4-dimethylpent-1-ene;4,4-dimethylpent-1-yne;2,2-dimethylpropanal;octakis(2,2-dimethylpropane);2,2-dimethylpropan-1-imine;2-ethenoxy-2-methylpropane;1-ethoxy-2,2-dimethylpropane;2-ethoxy-2-methylpropane;1-methoxy-2,2-dimethylpropane;2-methoxy-2-methylpropane;2-methylpropan-2-amine;2-methylpropan-2-ol;(2-methylpropan-2-yl)oxybenzene;(2-methylpropan-2-yl)oxymethylbenzene;2-methyl-2-prop-2-enoxypropane;2-methyl-2-prop-2-ynoxypropane;2,2,3,3-tetramethylbutane;2,2,3-trimethylbutane;2,2,3-trimethylpentane;2,2,4-trimethylpentane;N,2,2-trimethylpropan-1-imine with MolForge

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Related Compounds

4-tert-butyl-2-[5-[3-[(1S)-1-(2-phenylphenyl)-1-pyridin-2-ylprop-2-ynyl]phenoxy]thiophen-3-yl]pyridine
CID 139363688
Tert-butylbenzene;2-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylthiophene;2-chloro-2-methylpropane;heptakis(2,2-dimethylbutane);3,3-dimethylbutan-2-one;3,3-dimethylbut-1-ene;3,3-dimethylbut-1-yne;2,2-dimethylhexane;2,2-dimethylpentane;4,4-dimethylpent-1-ene;4,4-dimethylpent-1-yne;2,2-dimethylpropanal;pentakis(2,2-dimethylpropane);2,2-dimethylpropan-1-imine;2-ethenoxy-2-methylpropane;1-ethoxy-2,2-dimethylpropane;2-ethoxy-2-methylpropane;1-fluoro-2,2-dimethylpropane;2-fluoro-2-methylpropane;1-methoxy-2,2-dimethylpropane;2-methoxy-2-methylpropane;2-methylpropan-2-amine;2-methylpropane;2-methylpropan-2-ol;(2-methylpropan-2-yl)oxybenzene;(2-methylpropan-2-yl)oxymethylbenzene;2-methyl-2-prop-2-enoxypropane;2-methyl-2-prop-2-ynoxypropane;2,2,3,3-tetramethylbutane;2,2,3-trimethylbutane;2,2,3-trimethylpentane;2,2,4-trimethylpentane
CID 157599754
3-Ethyl-1-(3-propoxyphenyl)pentan-3-ol;bis(1-[2-(3-propoxyphenyl)ethyl]cyclohexan-1-ol);4-[2-(3-propoxyphenyl)ethyl]heptan-4-ol;2-[2-(3-propoxyphenyl)ethyl]pyridine;3-[2-(3-propoxyphenyl)ethyl]pyridine;2-[2-(3-propoxyphenyl)ethyl]thiophene;6-(3-propoxyphenyl)hexan-1-ol
CID 157622783
1-(3-Cyclopentylpropyl)-3-propoxybenzene;3-ethyl-1-(3-propoxyphenyl)pentan-3-ol;4-methyl-3-propan-2-yl-1-(3-propoxyphenyl)pentan-3-ol;2-methyl-4-(3-propoxyphenyl)butan-2-ol;5-[2-(3-propoxyphenyl)ethyl]nonan-5-ol;2-[2-(3-propoxyphenyl)ethyl]pyridine;3-[2-(3-propoxyphenyl)ethyl]pyridine;2-[2-(3-propoxyphenyl)ethyl]thiophene;6-(3-propoxyphenyl)hexan-1-ol
CID 158632096
1-(3-Cyclopentylpropyl)-3-propoxybenzene;3-ethyl-1-(3-propoxyphenyl)pentan-3-ol;1-(4-methylpentyl)-3-propoxybenzene;4-methyl-3-propan-2-yl-1-(3-propoxyphenyl)pentan-3-ol;2-methyl-4-(3-propoxyphenyl)butan-2-ol;1-(2-phenylethyl)-3-propoxybenzene;1-(3-phenylpropyl)-3-propoxybenzene;4-(3-propoxyphenyl)butan-1-ol;1-[2-(3-propoxyphenyl)ethyl]cyclopentan-1-ol;5-[2-(3-propoxyphenyl)ethyl]nonan-5-ol;2-[2-(3-propoxyphenyl)ethyl]pyridine;3-[2-(3-propoxyphenyl)ethyl]pyridine;2-[2-(3-propoxyphenyl)ethyl]thiophene
CID 158684067
3-Ethyl-1-(3-propoxyphenyl)pentan-3-ol;1-[2-(3-propoxyphenyl)ethyl]cycloheptan-1-ol;1-[2-(3-propoxyphenyl)ethyl]cyclohexan-1-ol;4-[2-(3-propoxyphenyl)ethyl]heptan-4-ol;2-[2-(3-propoxyphenyl)ethyl]pyridine;3-[2-(3-propoxyphenyl)ethyl]pyridine;4-[2-(3-propoxyphenyl)ethyl]thian-4-ol;2-[2-(3-propoxyphenyl)ethyl]thiophene;6-(3-propoxyphenyl)hexan-1-ol
CID 158975540
2-[2-(3-Butylphenyl)ethyl]cyclohexan-1-ol;1-[2-(3-but-1-ynylphenyl)ethyl]cyclohexan-1-ol;1-(3-cyclopentylpropyl)-3-propoxybenzene;1-[2-(3-propoxyphenyl)ethyl]cycloheptan-1-ol;1-[2-(3-propoxyphenyl)ethyl]cyclohexan-1-ol;4-[2-(3-propoxyphenyl)ethyl]heptan-4-ol;2-[2-(3-propoxyphenyl)ethyl]pyridine;3-[2-(3-propoxyphenyl)ethyl]pyridine;4-[2-(3-propoxyphenyl)ethyl]thian-4-ol;2-[2-(3-propoxyphenyl)ethyl]thiophene;6-(3-propoxyphenyl)hexan-1-ol
CID 159110397
1-(3-Cyclopentylpropyl)-3-propoxybenzene;3-ethyl-1-(3-propoxyphenyl)pentan-3-ol;4-methyl-3-propan-2-yl-1-(3-propoxyphenyl)pentan-3-ol;2-methyl-4-(3-propoxyphenyl)butan-2-ol;1-[2-(3-propoxyphenyl)ethyl]cycloheptan-1-ol;1-[2-(3-propoxyphenyl)ethyl]cyclohexan-1-ol;5-[2-(3-propoxyphenyl)ethyl]nonan-5-ol;2-[2-(3-propoxyphenyl)ethyl]pyridine;3-[2-(3-propoxyphenyl)ethyl]pyridine;4-[2-(3-propoxyphenyl)ethyl]thian-4-ol;2-[2-(3-propoxyphenyl)ethyl]thiophene;6-(3-propoxyphenyl)hexan-1-ol
CID 159627225
1-(3-Cyclopentylpropyl)-3-propoxybenzene;3-ethyl-1-(3-propoxyphenyl)pentan-3-ol;4-methyl-3-propan-2-yl-1-(3-propoxyphenyl)pentan-3-ol;2-methyl-4-(3-propoxyphenyl)butan-2-ol;5-[2-(3-propoxyphenyl)ethyl]nonan-5-ol;2-[2-(3-propoxyphenyl)ethyl]pyridine;3-[2-(3-propoxyphenyl)ethyl]pyridine;4-[2-(3-propoxyphenyl)ethyl]thian-4-ol;2-[2-(3-propoxyphenyl)ethyl]thiophene;6-(3-propoxyphenyl)hexan-1-ol
CID 159675690
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3-Ethyl-1-(3-propoxyphenyl)pentan-3-ol;1-(4-methylpentyl)-3-propoxybenzene;4-methyl-3-propan-2-yl-1-(3-propoxyphenyl)pentan-3-ol;2-methyl-4-(3-propoxyphenyl)butan-2-ol;1-[2-(3-propoxyphenyl)ethyl]cyclopentan-1-ol;5-[2-(3-propoxyphenyl)ethyl]nonan-5-ol;2-[2-(3-propoxyphenyl)ethyl]pyridine;3-[2-(3-propoxyphenyl)ethyl]pyridine;2-[2-(3-propoxyphenyl)ethyl]thiophene
CID 160734551
3-Ethyl-1-(3-propoxyphenyl)pentan-3-ol;methane;1-(4-methylpentyl)-3-propoxybenzene;4-methyl-3-propan-2-yl-1-(3-propoxyphenyl)pentan-3-ol;2-methyl-4-(3-propoxyphenyl)butan-2-ol;1-(2-phenylethyl)-3-propoxybenzene;1-(3-phenylpropyl)-3-propoxybenzene;4-(3-propoxyphenyl)butan-1-ol;1-[2-(3-propoxyphenyl)ethyl]cyclopentan-1-ol;5-[2-(3-propoxyphenyl)ethyl]nonan-5-ol;2-[2-(3-propoxyphenyl)ethyl]pyridine;2-[2-(3-propoxyphenyl)ethyl]thiophene
CID 160871635

Frequently Asked Questions

What is the IUPAC name of tert-butylbenzene;2-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylthiophene;octakis(2,2-dimethylbutane);3,3-dimethylbutan-2-one;3,3-dimethylbut-1-ene;3,3-dimethylbut-1-yne;2,2-dimethylhexane;2,2-dimethylpentane;4,4-dimethylpent-1-ene;4,4-dimethylpent-1-yne;2,2-dimethylpropanal;octakis(2,2-dimethylpropane);2,2-dimethylpropan-1-imine;2-ethenoxy-2-methylpropane;1-ethoxy-2,2-dimethylpropane;2-ethoxy-2-methylpropane;1-methoxy-2,2-dimethylpropane;2-methoxy-2-methylpropane;2-methylpropan-2-amine;2-methylpropan-2-ol;(2-methylpropan-2-yl)oxybenzene;(2-methylpropan-2-yl)oxymethylbenzene;2-methyl-2-prop-2-enoxypropane;2-methyl-2-prop-2-ynoxypropane;2,2,3,3-tetramethylbutane;2,2,3-trimethylbutane;2,2,3-trimethylpentane;2,2,4-trimethylpentane;N,2,2-trimethylpropan-1-imine?
The IUPAC name of tert-butylbenzene;2-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylthiophene;octakis(2,2-dimethylbutane);3,3-dimethylbutan-2-one;3,3-dimethylbut-1-ene;3,3-dimethylbut-1-yne;2,2-dimethylhexane;2,2-dimethylpentane;4,4-dimethylpent-1-ene;4,4-dimethylpent-1-yne;2,2-dimethylpropanal;octakis(2,2-dimethylpropane);2,2-dimethylpropan-1-imine;2-ethenoxy-2-methylpropane;1-ethoxy-2,2-dimethylpropane;2-ethoxy-2-methylpropane;1-methoxy-2,2-dimethylpropane;2-methoxy-2-methylpropane;2-methylpropan-2-amine;2-methylpropan-2-ol;(2-methylpropan-2-yl)oxybenzene;(2-methylpropan-2-yl)oxymethylbenzene;2-methyl-2-prop-2-enoxypropane;2-methyl-2-prop-2-ynoxypropane;2,2,3,3-tetramethylbutane;2,2,3-trimethylbutane;2,2,3-trimethylpentane;2,2,4-trimethylpentane;N,2,2-trimethylpropan-1-imine (CID 158263743) is tert-butylbenzene;2-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylthiophene;octakis(2,2-dimethylbutane);3,3-dimethylbutan-2-one;3,3-dimethylbut-1-ene;3,3-dimethylbut-1-yne;2,2-dimethylhexane;2,2-dimethylpentane;4,4-dimethylpent-1-ene;4,4-dimethylpent-1-yne;2,2-dimethylpropanal;octakis(2,2-dimethylpropane);2,2-dimethylpropan-1-imine;2-ethenoxy-2-methylpropane;1-ethoxy-2,2-dimethylpropane;2-ethoxy-2-methylpropane;1-methoxy-2,2-dimethylpropane;2-methoxy-2-methylpropane;2-methylpropan-2-amine;2-methylpropan-2-ol;(2-methylpropan-2-yl)oxybenzene;(2-methylpropan-2-yl)oxymethylbenzene;2-methyl-2-prop-2-enoxypropane;2-methyl-2-prop-2-ynoxypropane;2,2,3,3-tetramethylbutane;2,2,3-trimethylbutane;2,2,3-trimethylpentane;2,2,4-trimethylpentane;N,2,2-trimethylpropan-1-imine.
What is the SMILES notation for tert-butylbenzene;2-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylthiophene;octakis(2,2-dimethylbutane);3,3-dimethylbutan-2-one;3,3-dimethylbut-1-ene;3,3-dimethylbut-1-yne;2,2-dimethylhexane;2,2-dimethylpentane;4,4-dimethylpent-1-ene;4,4-dimethylpent-1-yne;2,2-dimethylpropanal;octakis(2,2-dimethylpropane);2,2-dimethylpropan-1-imine;2-ethenoxy-2-methylpropane;1-ethoxy-2,2-dimethylpropane;2-ethoxy-2-methylpropane;1-methoxy-2,2-dimethylpropane;2-methoxy-2-methylpropane;2-methylpropan-2-amine;2-methylpropan-2-ol;(2-methylpropan-2-yl)oxybenzene;(2-methylpropan-2-yl)oxymethylbenzene;2-methyl-2-prop-2-enoxypropane;2-methyl-2-prop-2-ynoxypropane;2,2,3,3-tetramethylbutane;2,2,3-trimethylbutane;2,2,3-trimethylpentane;2,2,4-trimethylpentane;N,2,2-trimethylpropan-1-imine?
The canonical SMILES for tert-butylbenzene;2-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylthiophene;octakis(2,2-dimethylbutane);3,3-dimethylbutan-2-one;3,3-dimethylbut-1-ene;3,3-dimethylbut-1-yne;2,2-dimethylhexane;2,2-dimethylpentane;4,4-dimethylpent-1-ene;4,4-dimethylpent-1-yne;2,2-dimethylpropanal;octakis(2,2-dimethylpropane);2,2-dimethylpropan-1-imine;2-ethenoxy-2-methylpropane;1-ethoxy-2,2-dimethylpropane;2-ethoxy-2-methylpropane;1-methoxy-2,2-dimethylpropane;2-methoxy-2-methylpropane;2-methylpropan-2-amine;2-methylpropan-2-ol;(2-methylpropan-2-yl)oxybenzene;(2-methylpropan-2-yl)oxymethylbenzene;2-methyl-2-prop-2-enoxypropane;2-methyl-2-prop-2-ynoxypropane;2,2,3,3-tetramethylbutane;2,2,3-trimethylbutane;2,2,3-trimethylpentane;2,2,4-trimethylpentane;N,2,2-trimethylpropan-1-imine is C#CC(C)(C)C.C#CCC(C)(C)C.C#CCOC(C)(C)C.C/N=C/C(C)(C)C.C=CC(C)(C)C.C=CCC(C)(C)C.C=CCOC(C)(C)C.C=COC(C)(C)C.CC(=O)C(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C(C)(C)C.CC(C)(C)C=O.CC(C)(C)N.CC(C)(C)O.CC(C)(C)OCc1ccccc1.CC(C)(C)Oc1ccccc1.CC(C)(C)c1ccccc1.CC(C)(C)c1ccccn1.CC(C)(C)c1cccs1.CC(C)(C)c1ccncc1.CC(C)C(C)(C)C.CC(C)CC(C)(C)C.CCC(C)(C)C.CCC(C)(C)C.CCC(C)(C)C.CCC(C)(C)C.CCC(C)(C)C.CCC(C)(C)C.CCC(C)(C)C.CCC(C)(C)C.CCC(C)C(C)(C)C.CCCC(C)(C)C.CCCCC(C)(C)C.CCOC(C)(C)C.CCOCC(C)(C)C.COC(C)(C)C.COCC(C)(C)C.[H]/N=C/C(C)(C)C.
What is the InChIKey of tert-butylbenzene;2-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylthiophene;octakis(2,2-dimethylbutane);3,3-dimethylbutan-2-one;3,3-dimethylbut-1-ene;3,3-dimethylbut-1-yne;2,2-dimethylhexane;2,2-dimethylpentane;4,4-dimethylpent-1-ene;4,4-dimethylpent-1-yne;2,2-dimethylpropanal;octakis(2,2-dimethylpropane);2,2-dimethylpropan-1-imine;2-ethenoxy-2-methylpropane;1-ethoxy-2,2-dimethylpropane;2-ethoxy-2-methylpropane;1-methoxy-2,2-dimethylpropane;2-methoxy-2-methylpropane;2-methylpropan-2-amine;2-methylpropan-2-ol;(2-methylpropan-2-yl)oxybenzene;(2-methylpropan-2-yl)oxymethylbenzene;2-methyl-2-prop-2-enoxypropane;2-methyl-2-prop-2-ynoxypropane;2,2,3,3-tetramethylbutane;2,2,3-trimethylbutane;2,2,3-trimethylpentane;2,2,4-trimethylpentane;N,2,2-trimethylpropan-1-imine?
The InChIKey is GIEMSLCLSUWUNV-DGPDVBLGSA-N. The full InChI is InChI=1S/C11H16O.C10H14O.C10H14.2C9H13N.C8H12S.4C8H18.C7H16O.C7H14O.C7H12O.2C7H16.C7H14.C7H12.C6H13N.2C6H14O.2C6H12O.8C6H14.C6H12.C6H10.C5H11N.C5H12O.C5H10O.8C5H12.C4H11N.C4H10O/c1-11(2,3)12-9-10-7-5-4-6-8-10;1-10(2,3)11-9-7-5-4-6-8-9;1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)8-4-6-10-7-5-8;1-9(2,3)8-6-4-5-7-10-8;1-8(2,3)7-5-4-6-9-7;1-7(2)6-8(3,4)5;1-7(2,3)8(4,5)6;1-6-7(2)8(3,4)5;1-5-6-7-8(2,3)4;1-5-8-6-7(2,3)4;2*1-5-6-8-7(2,3)4;1-6(2)7(3,4)5;3*1-5-6-7(2,3)4;2*1-6(2,3)5-7-4;2*1-5-7-6(2,3)4;1-5(7)6(2,3)4;10*1-5-6(2,3)4;1-5(2,3)4-6;1-5(2,3)6-4;1-5(2,3)4-6;8*1-5(2,3)4;2*1-4(2,3)5/h4-8H,9H2,1-3H3;4-8H,1-3H3;4-8H,1-3H3;2*4-7H,1-3H3;4-6H,1-3H3;7H,6H2,1-5H3;1-6H3;7H,6H2,1-5H3;5-7H2,1-4H3;5-6H2,1-4H3;5H,1,6H2,2-4H3;1H,6H2,2-4H3;6H,1-5H3;5-6H2,1-4H3;5H,1,6H2,2-4H3;1H,6H2,2-4H3;5H,1-4H3;2*5H2,1-4H3;5H,1H2,2-4H3;1-4H3;8*5H2,1-4H3;5H,1H2,2-4H3;1H,2-4H3;4,6H,1-3H3;1-4H3;4H,1-3H3;8*1-4H3;5H2,1-3H3;5H,1-3H3/b;;;;;;;;;;;;;;;;;7-5+;;;;;;;;;;;;;;;6-4+;;;;;;;;;;;;.
What are the key properties of tert-butylbenzene;2-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylthiophene;octakis(2,2-dimethylbutane);3,3-dimethylbutan-2-one;3,3-dimethylbut-1-ene;3,3-dimethylbut-1-yne;2,2-dimethylhexane;2,2-dimethylpentane;4,4-dimethylpent-1-ene;4,4-dimethylpent-1-yne;2,2-dimethylpropanal;octakis(2,2-dimethylpropane);2,2-dimethylpropan-1-imine;2-ethenoxy-2-methylpropane;1-ethoxy-2,2-dimethylpropane;2-ethoxy-2-methylpropane;1-methoxy-2,2-dimethylpropane;2-methoxy-2-methylpropane;2-methylpropan-2-amine;2-methylpropan-2-ol;(2-methylpropan-2-yl)oxybenzene;(2-methylpropan-2-yl)oxymethylbenzene;2-methyl-2-prop-2-enoxypropane;2-methyl-2-prop-2-ynoxypropane;2,2,3,3-tetramethylbutane;2,2,3-trimethylbutane;2,2,3-trimethylpentane;2,2,4-trimethylpentane;N,2,2-trimethylpropan-1-imine?
tert-butylbenzene;2-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylthiophene;octakis(2,2-dimethylbutane);3,3-dimethylbutan-2-one;3,3-dimethylbut-1-ene;3,3-dimethylbut-1-yne;2,2-dimethylhexane;2,2-dimethylpentane;4,4-dimethylpent-1-ene;4,4-dimethylpent-1-yne;2,2-dimethylpropanal;octakis(2,2-dimethylpropane);2,2-dimethylpropan-1-imine;2-ethenoxy-2-methylpropane;1-ethoxy-2,2-dimethylpropane;2-ethoxy-2-methylpropane;1-methoxy-2,2-dimethylpropane;2-methoxy-2-methylpropane;2-methylpropan-2-amine;2-methylpropan-2-ol;(2-methylpropan-2-yl)oxybenzene;(2-methylpropan-2-yl)oxymethylbenzene;2-methyl-2-prop-2-enoxypropane;2-methyl-2-prop-2-ynoxypropane;2,2,3,3-tetramethylbutane;2,2,3-trimethylbutane;2,2,3-trimethylpentane;2,2,4-trimethylpentane;N,2,2-trimethylpropan-1-imine has a molecular weight of 4397.11 g/mol, XLogP of 99.30, 17 rotatable bonds, 3 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butylbenzene;2-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylthiophene;octakis(2,2-dimethylbutane);3,3-dimethylbutan-2-one;3,3-dimethylbut-1-ene;3,3-dimethylbut-1-yne;2,2-dimethylhexane;2,2-dimethylpentane;4,4-dimethylpent-1-ene;4,4-dimethylpent-1-yne;2,2-dimethylpropanal;octakis(2,2-dimethylpropane);2,2-dimethylpropan-1-imine;2-ethenoxy-2-methylpropane;1-ethoxy-2,2-dimethylpropane;2-ethoxy-2-methylpropane;1-methoxy-2,2-dimethylpropane;2-methoxy-2-methylpropane;2-methylpropan-2-amine;2-methylpropan-2-ol;(2-methylpropan-2-yl)oxybenzene;(2-methylpropan-2-yl)oxymethylbenzene;2-methyl-2-prop-2-enoxypropane;2-methyl-2-prop-2-ynoxypropane;2,2,3,3-tetramethylbutane;2,2,3-trimethylbutane;2,2,3-trimethylpentane;2,2,4-trimethylpentane;N,2,2-trimethylpropan-1-imine is sourced from PubChem (CID 158263743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).