tert-butylcyclopropane;2,2-dimethylbutane;3,3-dimethylbutylbenzene;2,2-dimethylpropane;3-(2,2-dimethylpropyl)benzamide;2,2-dimethylpropylbenzene;3-(2,2-dimethylpropyl)benzenesulfonamide;4-(2,2-dimethylpropyl)benzenesulfonamide;2,2-dimethylpropylcyclopropane;3-(2,2-dimethylpropyl)-N,N-dimethylbenzamide;4-(2,2-dimethylpropyl)-N,N-dimethylbenzamide;1-(2,2-dimethylpropyl)-3-isocyanobenzene;1-(2,2-dimethylpropyl)-4-methoxybenzene;1-(2,2-dimethylpropyl)-3-methylsulfonylbenzene;1-(2,2-dimethylpropyl)-4-methylsulfonylbenzene;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyridine;1-(2,2-dimethylpropyl)-3-(trifluoromethyl)benzene;1-(2,2-dimethylpropyl)-4-(trifluoromethyl)benzene;1-methoxy-2,2-dimethylpropane

C219H341F6N9O13S4 — CID 158225920

IUPACtert-butylcyclopropane;2,2-dimethylbutane;3,3-dimethylbutylbenzene;2,2-dimethylpropane;3-(2,2-dimethylpropyl)benzamide;2,2-dimethylpropylbenzene;3-(2,2-dimethylpropyl)benzenesulfonamide;4-(2,2-dimethylpropyl)benzenesulfonamide;2,2-dimethylpropylcyclopropane;3-(2,2-dimethylpropyl)-N,N-dimethylbenzamide;4-(2,2-dimethylpropyl)-N,N-dimethylbenzamide;1-(2,2-dimethylpropyl)-3-isocyanobenzene;1-(2,2-dimethylpropyl)-4-methoxybenzene;1-(2,2-dimethylpropyl)-3-methylsulfonylbenzene;1-(2,2-dimethylpropyl)-4-methylsulfonylbenzene;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyridine;1-(2,2-dimethylpropyl)-3-(trifluoromethyl)benzene;1-(2,2-dimethylpropyl)-4-(trifluoromethyl)benzene;1-methoxy-2,2-dimethylpropane
SMILESCC(C)(C)C.CC(C)(C)C1CC1.CC(C)(C)CC1CC1.CC(C)(C)CCc1ccccc1.CC(C)(C)Cc1ccc(C(F)(F)F)cc1.CC(C)(C)Cc1ccc(S(C)(=O)=O)cc1.CC(C)(C)Cc1ccc(S(N)(=O)=O)cc1.CC(C)(C)Cc1cccc(C(F)(F)F)c1.CC(C)(C)Cc1cccc(C(N)=O)c1.CC(C)(C)Cc1cccc(S(C)(=O)=O)c1.CC(C)(C)Cc1cccc(S(N)(=O)=O)c1.CC(C)(C)Cc1ccccc1.CC(C)(C)Cc1ccccn1.CC(C)(C)Cc1cccnc1.CC(C)(C)Cc1ccncc1.CCC(C)(C)C.CN(C)C(=O)c1ccc(CC(C)(C)C)cc1.CN(C)C(=O)c1cccc(CC(C)(C)C)c1.COCC(C)(C)C.COc1ccc(CC(C)(C)C)cc1.[C-]#[N+]c1cccc(CC(C)(C)C)c1
InChIInChI=1S/2C14H21NO.2C12H15F3.C12H17NO.C12H15N.2C12H18O2S.C12H18O.C12H18.2C11H17NO2S.C11H16.3C10H15N.C8H16.C7H14.C6H14O.C6H14.C5H12/c1-14(2,3)10-11-6-8-12(9-7-11)13(16)15(4)5;1-14(2,3)10-11-7-6-8-12(9-11)13(16)15(4)5;1-11(2,3)8-9-4-6-10(7-5-9)12(13,14)15;1-11(2,3)8-9-5-4-6-10(7-9)12(13,14)15;1-12(2,3)8-9-5-4-6-10(7-9)11(13)14;1-12(2,3)9-10-6-5-7-11(8-10)13-4;1-12(2,3)9-10-5-7-11(8-6-10)15(4,13)14;1-12(2,3)9-10-6-5-7-11(8-10)15(4,13)14;1-12(2,3)9-10-5-7-11(13-4)8-6-10;1-12(2,3)10-9-11-7-5-4-6-8-11;1-11(2,3)8-9-4-6-10(7-5-9)15(12,13)14;1-11(2,3)8-9-5-4-6-10(7-9)15(12,13)14;1-11(2,3)9-10-7-5-4-6-8-10;1-10(2,3)8-9-4-6-11-7-5-9;1-10(2,3)7-9-5-4-6-11-8-9;1-10(2,3)8-9-6-4-5-7-11-9;1-8(2,3)6-7-4-5-7;1-7(2,3)6-4-5-6;1-6(2,3)5-7-4;1-5-6(2,3)4;1-5(2,3)4/h2*6-9H,10H2,1-5H3;2*4-7H,8H2,1-3H3;4-7H,8H2,1-3H3,(H2,13,14);5-8H,9H2,1-3H3;2*5-8H,9H2,1-4H3;5-8H,9H2,1-4H3;4-8H,9-10H2,1-3H3;2*4-7H,8H2,1-3H3,(H2,12,13,14);4-8H,9H2,1-3H3;4-7H,8H2,1-3H3;4-6,8H,7H2,1-3H3;4-7H,8H2,1-3H3;7H,4-6H2,1-3H3;6H,4-5H2,1-3H3;5H2,1-4H3;5H2,1-4H3;1-4H3
InChIKeyGDUKBBMBWPZJCJ-UHFFFAOYSA-N
MW3550.44 g/mol
LogP59.63
Rot. Bonds27

About tert-butylcyclopropane;2,2-dimethylbutane;3,3-dimethylbutylbenzene;2,2-dimethylpropane;3-(2,2-dimethylpropyl)benzamide;2,2-dimethylpropylbenzene;3-(2,2-dimethylpropyl)benzenesulfonamide;4-(2,2-dimethylpropyl)benzenesulfonamide;2,2-dimethylpropylcyclopropane;3-(2,2-dimethylpropyl)-N,N-dimethylbenzamide;4-(2,2-dimethylpropyl)-N,N-dimethylbenzamide;1-(2,2-dimethylpropyl)-3-isocyanobenzene;1-(2,2-dimethylpropyl)-4-methoxybenzene;1-(2,2-dimethylpropyl)-3-methylsulfonylbenzene;1-(2,2-dimethylpropyl)-4-methylsulfonylbenzene;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyridine;1-(2,2-dimethylpropyl)-3-(trifluoromethyl)benzene;1-(2,2-dimethylpropyl)-4-(trifluoromethyl)benzene;1-methoxy-2,2-dimethylpropane

tert-butylcyclopropane;2,2-dimethylbutane;3,3-dimethylbutylbenzene;2,2-dimethylpropane;3-(2,2-dimethylpropyl)benzamide;2,2-dimethylpropylbenzene;3-(2,2-dimethylpropyl)benzenesulfonamide;4-(2,2-dimethylpropyl)benzenesulfonamide;2,2-dimethylpropylcyclopropane;3-(2,2-dimethylpropyl)-N,N-dimethylbenzamide;4-(2,2-dimethylpropyl)-N,N-dimethylbenzamide;1-(2,2-dimethylpropyl)-3-isocyanobenzene;1-(2,2-dimethylpropyl)-4-methoxybenzene;1-(2,2-dimethylpropyl)-3-methylsulfonylbenzene;1-(2,2-dimethylpropyl)-4-methylsulfonylbenzene;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyridine;1-(2,2-dimethylpropyl)-3-(trifluoromethyl)benzene;1-(2,2-dimethylpropyl)-4-(trifluoromethyl)benzene;1-methoxy-2,2-dimethylpropane (PubChem CID 158225920) has the molecular formula C219H341F6N9O13S4 and a molecular weight of 3550.44 g/mol. Its IUPAC name is tert-butylcyclopropane;2,2-dimethylbutane;3,3-dimethylbutylbenzene;2,2-dimethylpropane;3-(2,2-dimethylpropyl)benzamide;2,2-dimethylpropylbenzene;3-(2,2-dimethylpropyl)benzenesulfonamide;4-(2,2-dimethylpropyl)benzenesulfonamide;2,2-dimethylpropylcyclopropane;3-(2,2-dimethylpropyl)-N,N-dimethylbenzamide;4-(2,2-dimethylpropyl)-N,N-dimethylbenzamide;1-(2,2-dimethylpropyl)-3-isocyanobenzene;1-(2,2-dimethylpropyl)-4-methoxybenzene;1-(2,2-dimethylpropyl)-3-methylsulfonylbenzene;1-(2,2-dimethylpropyl)-4-methylsulfonylbenzene;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyridine;1-(2,2-dimethylpropyl)-3-(trifluoromethyl)benzene;1-(2,2-dimethylpropyl)-4-(trifluoromethyl)benzene;1-methoxy-2,2-dimethylpropane.

Molecular Properties

Compound Nametert-butylcyclopropane;2,2-dimethylbutane;3,3-dimethylbutylbenzene;2,2-dimethylpropane;3-(2,2-dimethylpropyl)benzamide;2,2-dimethylpropylbenzene;3-(2,2-dimethylpropyl)benzenesulfonamide;4-(2,2-dimethylpropyl)benzenesulfonamide;2,2-dimethylpropylcyclopropane;3-(2,2-dimethylpropyl)-N,N-dimethylbenzamide;4-(2,2-dimethylpropyl)-N,N-dimethylbenzamide;1-(2,2-dimethylpropyl)-3-isocyanobenzene;1-(2,2-dimethylpropyl)-4-methoxybenzene;1-(2,2-dimethylpropyl)-3-methylsulfonylbenzene;1-(2,2-dimethylpropyl)-4-methylsulfonylbenzene;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyridine;1-(2,2-dimethylpropyl)-3-(trifluoromethyl)benzene;1-(2,2-dimethylpropyl)-4-(trifluoromethyl)benzene;1-methoxy-2,2-dimethylpropane
PubChem CID158225920
Molecular FormulaC219H341F6N9O13S4
Molecular Weight3550.44 g/mol
Exact Mass3547.51
IUPAC Nametert-butylcyclopropane;2,2-dimethylbutane;3,3-dimethylbutylbenzene;2,2-dimethylpropane;3-(2,2-dimethylpropyl)benzamide;2,2-dimethylpropylbenzene;3-(2,2-dimethylpropyl)benzenesulfonamide;4-(2,2-dimethylpropyl)benzenesulfonamide;2,2-dimethylpropylcyclopropane;3-(2,2-dimethylpropyl)-N,N-dimethylbenzamide;4-(2,2-dimethylpropyl)-N,N-dimethylbenzamide;1-(2,2-dimethylpropyl)-3-isocyanobenzene;1-(2,2-dimethylpropyl)-4-methoxybenzene;1-(2,2-dimethylpropyl)-3-methylsulfonylbenzene;1-(2,2-dimethylpropyl)-4-methylsulfonylbenzene;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyridine;1-(2,2-dimethylpropyl)-3-(trifluoromethyl)benzene;1-(2,2-dimethylpropyl)-4-(trifluoromethyl)benzene;1-methoxy-2,2-dimethylpropane
SMILESCC(C)(C)C.CC(C)(C)C1CC1.CC(C)(C)CC1CC1.CC(C)(C)CCc1ccccc1.CC(C)(C)Cc1ccc(C(F)(F)F)cc1.CC(C)(C)Cc1ccc(S(C)(=O)=O)cc1.CC(C)(C)Cc1ccc(S(N)(=O)=O)cc1.CC(C)(C)Cc1cccc(C(F)(F)F)c1.CC(C)(C)Cc1cccc(C(N)=O)c1.CC(C)(C)Cc1cccc(S(C)(=O)=O)c1.CC(C)(C)Cc1cccc(S(N)(=O)=O)c1.CC(C)(C)Cc1ccccc1.CC(C)(C)Cc1ccccn1.CC(C)(C)Cc1cccnc1.CC(C)(C)Cc1ccncc1.CCC(C)(C)C.CN(C)C(=O)c1ccc(CC(C)(C)C)cc1.CN(C)C(=O)c1cccc(CC(C)(C)C)c1.COCC(C)(C)C.COc1ccc(CC(C)(C)C)cc1.[C-]#[N+]c1cccc(CC(C)(C)C)c1
InChIInChI=1S/2C14H21NO.2C12H15F3.C12H17NO.C12H15N.2C12H18O2S.C12H18O.C12H18.2C11H17NO2S.C11H16.3C10H15N.C8H16.C7H14.C6H14O.C6H14.C5H12/c1-14(2,3)10-11-6-8-12(9-7-11)13(16)15(4)5;1-14(2,3)10-11-7-6-8-12(9-11)13(16)15(4)5;1-11(2,3)8-9-4-6-10(7-5-9)12(13,14)15;1-11(2,3)8-9-5-4-6-10(7-9)12(13,14)15;1-12(2,3)8-9-5-4-6-10(7-9)11(13)14;1-12(2,3)9-10-6-5-7-11(8-10)13-4;1-12(2,3)9-10-5-7-11(8-6-10)15(4,13)14;1-12(2,3)9-10-6-5-7-11(8-10)15(4,13)14;1-12(2,3)9-10-5-7-11(13-4)8-6-10;1-12(2,3)10-9-11-7-5-4-6-8-11;1-11(2,3)8-9-4-6-10(7-5-9)15(12,13)14;1-11(2,3)8-9-5-4-6-10(7-9)15(12,13)14;1-11(2,3)9-10-7-5-4-6-8-10;1-10(2,3)8-9-4-6-11-7-5-9;1-10(2,3)7-9-5-4-6-11-8-9;1-10(2,3)8-9-6-4-5-7-11-9;1-8(2,3)6-7-4-5-7;1-7(2,3)6-4-5-6;1-6(2,3)5-7-4;1-5-6(2,3)4;1-5(2,3)4/h2*6-9H,10H2,1-5H3;2*4-7H,8H2,1-3H3;4-7H,8H2,1-3H3,(H2,13,14);5-8H,9H2,1-3H3;2*5-8H,9H2,1-4H3;5-8H,9H2,1-4H3;4-8H,9-10H2,1-3H3;2*4-7H,8H2,1-3H3,(H2,12,13,14);4-8H,9H2,1-3H3;4-7H,8H2,1-3H3;4-6,8H,7H2,1-3H3;4-7H,8H2,1-3H3;7H,4-6H2,1-3H3;6H,4-5H2,1-3H3;5H2,1-4H3;5H2,1-4H3;1-4H3
InChIKeyGDUKBBMBWPZJCJ-UHFFFAOYSA-N
XLogP59.63
TPSA333.80 Ų
H-Bond Donors3
H-Bond Acceptors16
Rotatable Bonds27
Heavy Atoms251
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003550.44
LogP ≤ 559.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze tert-butylcyclopropane;2,2-dimethylbutane;3,3-dimethylbutylbenzene;2,2-dimethylpropane;3-(2,2-dimethylpropyl)benzamide;2,2-dimethylpropylbenzene;3-(2,2-dimethylpropyl)benzenesulfonamide;4-(2,2-dimethylpropyl)benzenesulfonamide;2,2-dimethylpropylcyclopropane;3-(2,2-dimethylpropyl)-N,N-dimethylbenzamide;4-(2,2-dimethylpropyl)-N,N-dimethylbenzamide;1-(2,2-dimethylpropyl)-3-isocyanobenzene;1-(2,2-dimethylpropyl)-4-methoxybenzene;1-(2,2-dimethylpropyl)-3-methylsulfonylbenzene;1-(2,2-dimethylpropyl)-4-methylsulfonylbenzene;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyridine;1-(2,2-dimethylpropyl)-3-(trifluoromethyl)benzene;1-(2,2-dimethylpropyl)-4-(trifluoromethyl)benzene;1-methoxy-2,2-dimethylpropane with MolForge

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Related Compounds

1-(1,1-difluoroethoxy)-4-(2-methylpropyl)benzene;1-(difluoromethoxy)-2-(2-methylpropyl)benzene;N,N-dimethyl-3-(2-methylpropyl)benzamide;N,N-dimethyl-4-(2-methylpropyl)benzamide;1-(1-fluoroethoxy)-4-(2-methylpropyl)benzene;2-fluoro-5-(2-methylpropyl)benzamide;1-[2-fluoro-4-(2-methylpropyl)phenyl]ethanone;N-methyl-3-(2-methylpropyl)benzamide;5-methyl-2-(2-methylpropyl)benzamide;2-methylpropylcyclopropane;1-(2-methylpropyl)-4-methylsulfonylbenzene;1-[2-(2-methylpropyl)phenyl]ethanone;1-[3-(2-methylpropyl)phenyl]ethanone;1-[4-(2-methylpropyl)phenyl]ethanone;1-[4-(2-methylpropyl)phenyl]propan-1-one;1-[5-(2-methylpropyl)-2-pyridinyl]ethanone
CID 157080499
2-tert-butyl-6-(5-ethylsulfinyl-2-methylphenyl)pyridine;2-tert-butyl-6-(5-methoxy-2-methylphenyl)pyridine;2-tert-butyl-6-(2-methyl-5-methylsulfanylphenyl)pyridine;2-tert-butyl-6-(2-methyl-5-methylsulfonylphenyl)pyridine;2-tert-butyl-6-[2-methyl-5-(trifluoromethoxy)phenyl]pyridine;3-(6-tert-butyl-2-pyridinyl)-N,4-dimethyl-N-methylsulfonylbenzamide;3-(6-tert-butyl-2-pyridinyl)-N-ethylsulfonyl-4-methylbenzamide;1-[3-(6-tert-butyl-2-pyridinyl)-4-methylphenyl]ethanone;methane
CID 157938331
1-tert-butyl-2-fluoro-3-(2-methyl-5-methylsulfonylphenyl)benzene;1-tert-butyl-2-fluoro-3-[2-methyl-5-(trifluoromethylsulfonyl)phenyl]benzene;3-(3-tert-butyl-2-fluorophenyl)-N,4-dimethyl-N-methylsulfonylbenzamide;3-(3-tert-butyl-2-fluorophenyl)-N-ethylsulfonyl-4-methylbenzamide;3-(3-tert-butyl-2-fluorophenyl)-4-methyl-N-methylsulfonylbenzamide;2-tert-butyl-6-(5-methoxy-2-methylphenyl)pyridine;2-tert-butyl-6-(2-methyl-5-methylsulfanylphenyl)pyridine;2-tert-butyl-6-[2-methyl-5-(trifluoromethoxy)phenyl]pyridine;3-(6-tert-butyl-2-pyridinyl)-N-ethylsulfonyl-4-methylbenzamide;1-[3-(6-tert-butyl-2-pyridinyl)-4-methylphenyl]ethanone
CID 159798970
2-tert-butyl-6-(5-ethylsulfinyl-2-methylphenyl)pyridine;2-tert-butyl-6-(5-methoxy-2-methylphenyl)pyridine;2-tert-butyl-6-(2-methyl-5-methylsulfinylphenyl)pyridine;2-tert-butyl-6-(2-methyl-5-methylsulfonylphenyl)pyridine;2-tert-butyl-6-[2-methyl-5-(trifluoromethoxy)phenyl]pyridine;2-tert-butyl-6-[2-methyl-5-(trifluoromethylsulfanyl)phenyl]pyridine;3-(6-tert-butyl-2-pyridinyl)-N,4-dimethyl-N-methylsulfonylbenzamide;3-(6-tert-butyl-2-pyridinyl)-N-ethylsulfonyl-4-methylbenzamide;3-(6-tert-butyl-2-pyridinyl)-4-methyl-N-methylsulfonylbenzamide;1-[3-(6-tert-butyl-2-pyridinyl)-4-methylphenyl]ethanone
CID 162150658
tert-butylcyclopropane;2,2-dimethylbutane;3,3-dimethylbutylbenzene;2,2-dimethylpropane;3-(2,2-dimethylpropyl)benzamide;4-(2,2-dimethylpropyl)benzamide;2,2-dimethylpropylbenzene;3-(2,2-dimethylpropyl)benzenesulfonamide;4-(2,2-dimethylpropyl)benzenesulfonamide;2,2-dimethylpropylcyclopropane;3-(2,2-dimethylpropyl)-N,N-dimethylbenzamide;4-(2,2-dimethylpropyl)-N,N-dimethylbenzamide;1-(2,2-dimethylpropyl)-3-isocyanobenzene;2-(2,2-dimethylpropyl)-5-isocyanothiophene;1-(2,2-dimethylpropyl)-4-methoxybenzene;1-(2,2-dimethylpropyl)-3-methylbenzene;1-(2,2-dimethylpropyl)-4-methylbenzene;1-(2,2-dimethylpropyl)-3-methylsulfonylbenzene;1-(2,2-dimethylpropyl)-4-methylsulfonylbenzene;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyridine;2-(2,2-dimethylpropyl)thiophene;5-(2,2-dimethylpropyl)thiophene-2-carboxamide;1-methoxy-2,2-dimethylpropane
CID 157249400
N,N-dimethyl-3-(2-propan-2-yl-3-pyridinyl)benzamide;N,N-dimethyl-4-(2-propan-2-yl-3-pyridinyl)benzamide;3-(4-methoxy-2,6-dimethylphenyl)-2-propan-2-ylpyridine;3-(4-methoxy-2-methylphenyl)-2-propan-2-ylpyridine;3-(2-methylphenyl)-2-propan-2-ylpyridine;N-methyl-4-(2-propan-2-yl-3-pyridinyl)benzamide;3-(3-methylsulfonylphenyl)-2-propan-2-ylpyridine;1-[3-(2-propan-2-yl-3-pyridinyl)phenyl]ethanone;1-[3-(2-propan-2-yl-3-pyridinyl)phenyl]propan-1-one
CID 159461709

Frequently Asked Questions

What is the IUPAC name of tert-butylcyclopropane;2,2-dimethylbutane;3,3-dimethylbutylbenzene;2,2-dimethylpropane;3-(2,2-dimethylpropyl)benzamide;2,2-dimethylpropylbenzene;3-(2,2-dimethylpropyl)benzenesulfonamide;4-(2,2-dimethylpropyl)benzenesulfonamide;2,2-dimethylpropylcyclopropane;3-(2,2-dimethylpropyl)-N,N-dimethylbenzamide;4-(2,2-dimethylpropyl)-N,N-dimethylbenzamide;1-(2,2-dimethylpropyl)-3-isocyanobenzene;1-(2,2-dimethylpropyl)-4-methoxybenzene;1-(2,2-dimethylpropyl)-3-methylsulfonylbenzene;1-(2,2-dimethylpropyl)-4-methylsulfonylbenzene;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyridine;1-(2,2-dimethylpropyl)-3-(trifluoromethyl)benzene;1-(2,2-dimethylpropyl)-4-(trifluoromethyl)benzene;1-methoxy-2,2-dimethylpropane?
The IUPAC name of tert-butylcyclopropane;2,2-dimethylbutane;3,3-dimethylbutylbenzene;2,2-dimethylpropane;3-(2,2-dimethylpropyl)benzamide;2,2-dimethylpropylbenzene;3-(2,2-dimethylpropyl)benzenesulfonamide;4-(2,2-dimethylpropyl)benzenesulfonamide;2,2-dimethylpropylcyclopropane;3-(2,2-dimethylpropyl)-N,N-dimethylbenzamide;4-(2,2-dimethylpropyl)-N,N-dimethylbenzamide;1-(2,2-dimethylpropyl)-3-isocyanobenzene;1-(2,2-dimethylpropyl)-4-methoxybenzene;1-(2,2-dimethylpropyl)-3-methylsulfonylbenzene;1-(2,2-dimethylpropyl)-4-methylsulfonylbenzene;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyridine;1-(2,2-dimethylpropyl)-3-(trifluoromethyl)benzene;1-(2,2-dimethylpropyl)-4-(trifluoromethyl)benzene;1-methoxy-2,2-dimethylpropane (CID 158225920) is tert-butylcyclopropane;2,2-dimethylbutane;3,3-dimethylbutylbenzene;2,2-dimethylpropane;3-(2,2-dimethylpropyl)benzamide;2,2-dimethylpropylbenzene;3-(2,2-dimethylpropyl)benzenesulfonamide;4-(2,2-dimethylpropyl)benzenesulfonamide;2,2-dimethylpropylcyclopropane;3-(2,2-dimethylpropyl)-N,N-dimethylbenzamide;4-(2,2-dimethylpropyl)-N,N-dimethylbenzamide;1-(2,2-dimethylpropyl)-3-isocyanobenzene;1-(2,2-dimethylpropyl)-4-methoxybenzene;1-(2,2-dimethylpropyl)-3-methylsulfonylbenzene;1-(2,2-dimethylpropyl)-4-methylsulfonylbenzene;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyridine;1-(2,2-dimethylpropyl)-3-(trifluoromethyl)benzene;1-(2,2-dimethylpropyl)-4-(trifluoromethyl)benzene;1-methoxy-2,2-dimethylpropane.
What is the SMILES notation for tert-butylcyclopropane;2,2-dimethylbutane;3,3-dimethylbutylbenzene;2,2-dimethylpropane;3-(2,2-dimethylpropyl)benzamide;2,2-dimethylpropylbenzene;3-(2,2-dimethylpropyl)benzenesulfonamide;4-(2,2-dimethylpropyl)benzenesulfonamide;2,2-dimethylpropylcyclopropane;3-(2,2-dimethylpropyl)-N,N-dimethylbenzamide;4-(2,2-dimethylpropyl)-N,N-dimethylbenzamide;1-(2,2-dimethylpropyl)-3-isocyanobenzene;1-(2,2-dimethylpropyl)-4-methoxybenzene;1-(2,2-dimethylpropyl)-3-methylsulfonylbenzene;1-(2,2-dimethylpropyl)-4-methylsulfonylbenzene;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyridine;1-(2,2-dimethylpropyl)-3-(trifluoromethyl)benzene;1-(2,2-dimethylpropyl)-4-(trifluoromethyl)benzene;1-methoxy-2,2-dimethylpropane?
The canonical SMILES for tert-butylcyclopropane;2,2-dimethylbutane;3,3-dimethylbutylbenzene;2,2-dimethylpropane;3-(2,2-dimethylpropyl)benzamide;2,2-dimethylpropylbenzene;3-(2,2-dimethylpropyl)benzenesulfonamide;4-(2,2-dimethylpropyl)benzenesulfonamide;2,2-dimethylpropylcyclopropane;3-(2,2-dimethylpropyl)-N,N-dimethylbenzamide;4-(2,2-dimethylpropyl)-N,N-dimethylbenzamide;1-(2,2-dimethylpropyl)-3-isocyanobenzene;1-(2,2-dimethylpropyl)-4-methoxybenzene;1-(2,2-dimethylpropyl)-3-methylsulfonylbenzene;1-(2,2-dimethylpropyl)-4-methylsulfonylbenzene;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyridine;1-(2,2-dimethylpropyl)-3-(trifluoromethyl)benzene;1-(2,2-dimethylpropyl)-4-(trifluoromethyl)benzene;1-methoxy-2,2-dimethylpropane is CC(C)(C)C.CC(C)(C)C1CC1.CC(C)(C)CC1CC1.CC(C)(C)CCc1ccccc1.CC(C)(C)Cc1ccc(C(F)(F)F)cc1.CC(C)(C)Cc1ccc(S(C)(=O)=O)cc1.CC(C)(C)Cc1ccc(S(N)(=O)=O)cc1.CC(C)(C)Cc1cccc(C(F)(F)F)c1.CC(C)(C)Cc1cccc(C(N)=O)c1.CC(C)(C)Cc1cccc(S(C)(=O)=O)c1.CC(C)(C)Cc1cccc(S(N)(=O)=O)c1.CC(C)(C)Cc1ccccc1.CC(C)(C)Cc1ccccn1.CC(C)(C)Cc1cccnc1.CC(C)(C)Cc1ccncc1.CCC(C)(C)C.CN(C)C(=O)c1ccc(CC(C)(C)C)cc1.CN(C)C(=O)c1cccc(CC(C)(C)C)c1.COCC(C)(C)C.COc1ccc(CC(C)(C)C)cc1.[C-]#[N+]c1cccc(CC(C)(C)C)c1.
What is the InChIKey of tert-butylcyclopropane;2,2-dimethylbutane;3,3-dimethylbutylbenzene;2,2-dimethylpropane;3-(2,2-dimethylpropyl)benzamide;2,2-dimethylpropylbenzene;3-(2,2-dimethylpropyl)benzenesulfonamide;4-(2,2-dimethylpropyl)benzenesulfonamide;2,2-dimethylpropylcyclopropane;3-(2,2-dimethylpropyl)-N,N-dimethylbenzamide;4-(2,2-dimethylpropyl)-N,N-dimethylbenzamide;1-(2,2-dimethylpropyl)-3-isocyanobenzene;1-(2,2-dimethylpropyl)-4-methoxybenzene;1-(2,2-dimethylpropyl)-3-methylsulfonylbenzene;1-(2,2-dimethylpropyl)-4-methylsulfonylbenzene;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyridine;1-(2,2-dimethylpropyl)-3-(trifluoromethyl)benzene;1-(2,2-dimethylpropyl)-4-(trifluoromethyl)benzene;1-methoxy-2,2-dimethylpropane?
The InChIKey is GDUKBBMBWPZJCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C14H21NO.2C12H15F3.C12H17NO.C12H15N.2C12H18O2S.C12H18O.C12H18.2C11H17NO2S.C11H16.3C10H15N.C8H16.C7H14.C6H14O.C6H14.C5H12/c1-14(2,3)10-11-6-8-12(9-7-11)13(16)15(4)5;1-14(2,3)10-11-7-6-8-12(9-11)13(16)15(4)5;1-11(2,3)8-9-4-6-10(7-5-9)12(13,14)15;1-11(2,3)8-9-5-4-6-10(7-9)12(13,14)15;1-12(2,3)8-9-5-4-6-10(7-9)11(13)14;1-12(2,3)9-10-6-5-7-11(8-10)13-4;1-12(2,3)9-10-5-7-11(8-6-10)15(4,13)14;1-12(2,3)9-10-6-5-7-11(8-10)15(4,13)14;1-12(2,3)9-10-5-7-11(13-4)8-6-10;1-12(2,3)10-9-11-7-5-4-6-8-11;1-11(2,3)8-9-4-6-10(7-5-9)15(12,13)14;1-11(2,3)8-9-5-4-6-10(7-9)15(12,13)14;1-11(2,3)9-10-7-5-4-6-8-10;1-10(2,3)8-9-4-6-11-7-5-9;1-10(2,3)7-9-5-4-6-11-8-9;1-10(2,3)8-9-6-4-5-7-11-9;1-8(2,3)6-7-4-5-7;1-7(2,3)6-4-5-6;1-6(2,3)5-7-4;1-5-6(2,3)4;1-5(2,3)4/h2*6-9H,10H2,1-5H3;2*4-7H,8H2,1-3H3;4-7H,8H2,1-3H3,(H2,13,14);5-8H,9H2,1-3H3;2*5-8H,9H2,1-4H3;5-8H,9H2,1-4H3;4-8H,9-10H2,1-3H3;2*4-7H,8H2,1-3H3,(H2,12,13,14);4-8H,9H2,1-3H3;4-7H,8H2,1-3H3;4-6,8H,7H2,1-3H3;4-7H,8H2,1-3H3;7H,4-6H2,1-3H3;6H,4-5H2,1-3H3;5H2,1-4H3;5H2,1-4H3;1-4H3.
What are the key properties of tert-butylcyclopropane;2,2-dimethylbutane;3,3-dimethylbutylbenzene;2,2-dimethylpropane;3-(2,2-dimethylpropyl)benzamide;2,2-dimethylpropylbenzene;3-(2,2-dimethylpropyl)benzenesulfonamide;4-(2,2-dimethylpropyl)benzenesulfonamide;2,2-dimethylpropylcyclopropane;3-(2,2-dimethylpropyl)-N,N-dimethylbenzamide;4-(2,2-dimethylpropyl)-N,N-dimethylbenzamide;1-(2,2-dimethylpropyl)-3-isocyanobenzene;1-(2,2-dimethylpropyl)-4-methoxybenzene;1-(2,2-dimethylpropyl)-3-methylsulfonylbenzene;1-(2,2-dimethylpropyl)-4-methylsulfonylbenzene;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyridine;1-(2,2-dimethylpropyl)-3-(trifluoromethyl)benzene;1-(2,2-dimethylpropyl)-4-(trifluoromethyl)benzene;1-methoxy-2,2-dimethylpropane?
tert-butylcyclopropane;2,2-dimethylbutane;3,3-dimethylbutylbenzene;2,2-dimethylpropane;3-(2,2-dimethylpropyl)benzamide;2,2-dimethylpropylbenzene;3-(2,2-dimethylpropyl)benzenesulfonamide;4-(2,2-dimethylpropyl)benzenesulfonamide;2,2-dimethylpropylcyclopropane;3-(2,2-dimethylpropyl)-N,N-dimethylbenzamide;4-(2,2-dimethylpropyl)-N,N-dimethylbenzamide;1-(2,2-dimethylpropyl)-3-isocyanobenzene;1-(2,2-dimethylpropyl)-4-methoxybenzene;1-(2,2-dimethylpropyl)-3-methylsulfonylbenzene;1-(2,2-dimethylpropyl)-4-methylsulfonylbenzene;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyridine;1-(2,2-dimethylpropyl)-3-(trifluoromethyl)benzene;1-(2,2-dimethylpropyl)-4-(trifluoromethyl)benzene;1-methoxy-2,2-dimethylpropane has a molecular weight of 3550.44 g/mol, XLogP of 59.63, 27 rotatable bonds, 3 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butylcyclopropane;2,2-dimethylbutane;3,3-dimethylbutylbenzene;2,2-dimethylpropane;3-(2,2-dimethylpropyl)benzamide;2,2-dimethylpropylbenzene;3-(2,2-dimethylpropyl)benzenesulfonamide;4-(2,2-dimethylpropyl)benzenesulfonamide;2,2-dimethylpropylcyclopropane;3-(2,2-dimethylpropyl)-N,N-dimethylbenzamide;4-(2,2-dimethylpropyl)-N,N-dimethylbenzamide;1-(2,2-dimethylpropyl)-3-isocyanobenzene;1-(2,2-dimethylpropyl)-4-methoxybenzene;1-(2,2-dimethylpropyl)-3-methylsulfonylbenzene;1-(2,2-dimethylpropyl)-4-methylsulfonylbenzene;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyridine;1-(2,2-dimethylpropyl)-3-(trifluoromethyl)benzene;1-(2,2-dimethylpropyl)-4-(trifluoromethyl)benzene;1-methoxy-2,2-dimethylpropane is sourced from PubChem (CID 158225920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).