3-methylbutylcyclobutane;2-methylheptane;6-methylheptanenitrile;5-methylhexanenitrile;2-methyl-5-(2-methylpropyl)-1,3,4-oxadiazole;5-methyl-3-(2-methylpropyl)-1,2,4-oxadiazole;2-methyl-5-(2-methylpropyl)-1,3-oxazole;5-methyl-3-(2-methylpropyl)-1,2-oxazole;1-methyl-3-(2-methylpropyl)pyrazole;1-methyl-4-(2-methylpropyl)pyrazole;5-methyl-3-(2-methylpropyl)-1H-pyrazole;2-methyl-5-(2-methylpropyl)-1,3-thiazole;4-methylpentylcyclopropane;2-methylpropylcyclobutane;2-methylpropylcyclohexane;1-(2-methylpropyl)cyclohexan-1-ol;2-(2-methylpropyl)oxane;2-(2-methylpropyl)oxolane;5-(2-methylpropyl)oxolan-2-one;2-(2-methylpropyl)pyrazine;2-(2-methylpropyl)pyridine;2-(2-methylpropyl)pyrimidine;4-(2-methylpropyl)pyrimidine;5-(2-methylpropyl)pyrrolidin-2-one;1,1,1-trifluoro-5-methylhexane

C204H368F3N23O10S — CID 161332929

IUPAC3-methylbutylcyclobutane;2-methylheptane;6-methylheptanenitrile;5-methylhexanenitrile;2-methyl-5-(2-methylpropyl)-1,3,4-oxadiazole;5-methyl-3-(2-methylpropyl)-1,2,4-oxadiazole;2-methyl-5-(2-methylpropyl)-1,3-oxazole;5-methyl-3-(2-methylpropyl)-1,2-oxazole;1-methyl-3-(2-methylpropyl)pyrazole;1-methyl-4-(2-methylpropyl)pyrazole;5-methyl-3-(2-methylpropyl)-1H-pyrazole;2-methyl-5-(2-methylpropyl)-1,3-thiazole;4-methylpentylcyclopropane;2-methylpropylcyclobutane;2-methylpropylcyclohexane;1-(2-methylpropyl)cyclohexan-1-ol;2-(2-methylpropyl)oxane;2-(2-methylpropyl)oxolane;5-(2-methylpropyl)oxolan-2-one;2-(2-methylpropyl)pyrazine;2-(2-methylpropyl)pyridine;2-(2-methylpropyl)pyrimidine;4-(2-methylpropyl)pyrimidine;5-(2-methylpropyl)pyrrolidin-2-one;1,1,1-trifluoro-5-methylhexane
SMILESCC(C)CC1(O)CCCCC1.CC(C)CC1CCC(=O)N1.CC(C)CC1CCC(=O)O1.CC(C)CC1CCC1.CC(C)CC1CCCCC1.CC(C)CC1CCCCO1.CC(C)CC1CCCO1.CC(C)CCC1CCC1.CC(C)CCCC#N.CC(C)CCCC(F)(F)F.CC(C)CCCC1CC1.CC(C)CCCCC#N.CC(C)Cc1ccccn1.CC(C)Cc1ccn(C)n1.CC(C)Cc1ccncn1.CC(C)Cc1cnccn1.CC(C)Cc1cnn(C)c1.CC(C)Cc1ncccn1.CCCCCC(C)C.Cc1cc(CC(C)C)n[nH]1.Cc1cc(CC(C)C)no1.Cc1nc(CC(C)C)no1.Cc1ncc(CC(C)C)o1.Cc1ncc(CC(C)C)s1.Cc1nnc(CC(C)C)o1
InChIInChI=1S/C10H20O.C10H20.C9H13N.C9H18O.2C9H18.3C8H14N2.3C8H12N2.2C8H13NO.C8H15NO.C8H13NS.C8H15N.C8H14O2.C8H16O.C8H16.C8H18.C7H13F3.2C7H12N2O.C7H13N/c1-9(2)8-10(11)6-4-3-5-7-10;1-9(2)8-10-6-4-3-5-7-10;2*1-8(2)7-9-5-3-4-6-10-9;1-8(2)6-7-9-4-3-5-9;1-8(2)4-3-5-9-6-7-9;1-7(2)4-8-5-9-10(3)6-8;1-6(2)4-8-5-7(3)9-10-8;1-7(2)6-8-4-5-10(3)9-8;1-7(2)5-8-6-9-3-4-10-8;1-7(2)5-8-3-4-9-6-10-8;1-7(2)6-8-9-4-3-5-10-8;1-6(2)4-8-5-9-7(3)10-8;1-6(2)4-8-5-7(3)10-9-8;1-6(2)5-7-3-4-8(10)9-7;1-6(2)4-8-5-9-7(3)10-8;1-8(2)6-4-3-5-7-9;1-6(2)5-7-3-4-8(9)10-7;1-7(2)6-8-4-3-5-9-8;1-7(2)6-8-4-3-5-8;1-4-5-6-7-8(2)3;1-6(2)4-3-5-7(8,9)10;1-5(2)4-7-9-8-6(3)10-7;1-5(2)4-7-8-6(3)10-9-7;1-7(2)5-3-4-6-8/h9,11H,3-8H2,1-2H3;9-10H,3-8H2,1-2H3;3-6,8H,7H2,1-2H3;8-9H,3-7H2,1-2H3;2*8-9H,3-7H2,1-2H3;5-7H,4H2,1-3H3;5-6H,4H2,1-3H3,(H,9,10);4-5,7H,6H2,1-3H3;2*3-4,6-7H,5H2,1-2H3;3-5,7H,6H2,1-2H3;2*5-6H,4H2,1-3H3;6-7H,3-5H2,1-2H3,(H,9,10);5-6H,4H2,1-3H3;8H,3-6H2,1-2H3;6-7H,3-5H2,1-2H3;7-8H,3-6H2,1-2H3;7-8H,3-6H2,1-2H3;8H,4-7H2,1-3H3;6H,3-5H2,1-2H3;2*5H,4H2,1-3H3;7H,3-5H2,1-2H3
InChIKeyVLQSNDVVUOLJAR-UHFFFAOYSA-N
MW3392.40 g/mol
LogP57.77
Rot. Bonds59

About 3-methylbutylcyclobutane;2-methylheptane;6-methylheptanenitrile;5-methylhexanenitrile;2-methyl-5-(2-methylpropyl)-1,3,4-oxadiazole;5-methyl-3-(2-methylpropyl)-1,2,4-oxadiazole;2-methyl-5-(2-methylpropyl)-1,3-oxazole;5-methyl-3-(2-methylpropyl)-1,2-oxazole;1-methyl-3-(2-methylpropyl)pyrazole;1-methyl-4-(2-methylpropyl)pyrazole;5-methyl-3-(2-methylpropyl)-1H-pyrazole;2-methyl-5-(2-methylpropyl)-1,3-thiazole;4-methylpentylcyclopropane;2-methylpropylcyclobutane;2-methylpropylcyclohexane;1-(2-methylpropyl)cyclohexan-1-ol;2-(2-methylpropyl)oxane;2-(2-methylpropyl)oxolane;5-(2-methylpropyl)oxolan-2-one;2-(2-methylpropyl)pyrazine;2-(2-methylpropyl)pyridine;2-(2-methylpropyl)pyrimidine;4-(2-methylpropyl)pyrimidine;5-(2-methylpropyl)pyrrolidin-2-one;1,1,1-trifluoro-5-methylhexane

3-methylbutylcyclobutane;2-methylheptane;6-methylheptanenitrile;5-methylhexanenitrile;2-methyl-5-(2-methylpropyl)-1,3,4-oxadiazole;5-methyl-3-(2-methylpropyl)-1,2,4-oxadiazole;2-methyl-5-(2-methylpropyl)-1,3-oxazole;5-methyl-3-(2-methylpropyl)-1,2-oxazole;1-methyl-3-(2-methylpropyl)pyrazole;1-methyl-4-(2-methylpropyl)pyrazole;5-methyl-3-(2-methylpropyl)-1H-pyrazole;2-methyl-5-(2-methylpropyl)-1,3-thiazole;4-methylpentylcyclopropane;2-methylpropylcyclobutane;2-methylpropylcyclohexane;1-(2-methylpropyl)cyclohexan-1-ol;2-(2-methylpropyl)oxane;2-(2-methylpropyl)oxolane;5-(2-methylpropyl)oxolan-2-one;2-(2-methylpropyl)pyrazine;2-(2-methylpropyl)pyridine;2-(2-methylpropyl)pyrimidine;4-(2-methylpropyl)pyrimidine;5-(2-methylpropyl)pyrrolidin-2-one;1,1,1-trifluoro-5-methylhexane (PubChem CID 161332929) has the molecular formula C204H368F3N23O10S and a molecular weight of 3392.40 g/mol. Its IUPAC name is 3-methylbutylcyclobutane;2-methylheptane;6-methylheptanenitrile;5-methylhexanenitrile;2-methyl-5-(2-methylpropyl)-1,3,4-oxadiazole;5-methyl-3-(2-methylpropyl)-1,2,4-oxadiazole;2-methyl-5-(2-methylpropyl)-1,3-oxazole;5-methyl-3-(2-methylpropyl)-1,2-oxazole;1-methyl-3-(2-methylpropyl)pyrazole;1-methyl-4-(2-methylpropyl)pyrazole;5-methyl-3-(2-methylpropyl)-1H-pyrazole;2-methyl-5-(2-methylpropyl)-1,3-thiazole;4-methylpentylcyclopropane;2-methylpropylcyclobutane;2-methylpropylcyclohexane;1-(2-methylpropyl)cyclohexan-1-ol;2-(2-methylpropyl)oxane;2-(2-methylpropyl)oxolane;5-(2-methylpropyl)oxolan-2-one;2-(2-methylpropyl)pyrazine;2-(2-methylpropyl)pyridine;2-(2-methylpropyl)pyrimidine;4-(2-methylpropyl)pyrimidine;5-(2-methylpropyl)pyrrolidin-2-one;1,1,1-trifluoro-5-methylhexane.

Molecular Properties

Compound Name3-methylbutylcyclobutane;2-methylheptane;6-methylheptanenitrile;5-methylhexanenitrile;2-methyl-5-(2-methylpropyl)-1,3,4-oxadiazole;5-methyl-3-(2-methylpropyl)-1,2,4-oxadiazole;2-methyl-5-(2-methylpropyl)-1,3-oxazole;5-methyl-3-(2-methylpropyl)-1,2-oxazole;1-methyl-3-(2-methylpropyl)pyrazole;1-methyl-4-(2-methylpropyl)pyrazole;5-methyl-3-(2-methylpropyl)-1H-pyrazole;2-methyl-5-(2-methylpropyl)-1,3-thiazole;4-methylpentylcyclopropane;2-methylpropylcyclobutane;2-methylpropylcyclohexane;1-(2-methylpropyl)cyclohexan-1-ol;2-(2-methylpropyl)oxane;2-(2-methylpropyl)oxolane;5-(2-methylpropyl)oxolan-2-one;2-(2-methylpropyl)pyrazine;2-(2-methylpropyl)pyridine;2-(2-methylpropyl)pyrimidine;4-(2-methylpropyl)pyrimidine;5-(2-methylpropyl)pyrrolidin-2-one;1,1,1-trifluoro-5-methylhexane
PubChem CID161332929
Molecular FormulaC204H368F3N23O10S
Molecular Weight3392.40 g/mol
Exact Mass3389.87
IUPAC Name3-methylbutylcyclobutane;2-methylheptane;6-methylheptanenitrile;5-methylhexanenitrile;2-methyl-5-(2-methylpropyl)-1,3,4-oxadiazole;5-methyl-3-(2-methylpropyl)-1,2,4-oxadiazole;2-methyl-5-(2-methylpropyl)-1,3-oxazole;5-methyl-3-(2-methylpropyl)-1,2-oxazole;1-methyl-3-(2-methylpropyl)pyrazole;1-methyl-4-(2-methylpropyl)pyrazole;5-methyl-3-(2-methylpropyl)-1H-pyrazole;2-methyl-5-(2-methylpropyl)-1,3-thiazole;4-methylpentylcyclopropane;2-methylpropylcyclobutane;2-methylpropylcyclohexane;1-(2-methylpropyl)cyclohexan-1-ol;2-(2-methylpropyl)oxane;2-(2-methylpropyl)oxolane;5-(2-methylpropyl)oxolan-2-one;2-(2-methylpropyl)pyrazine;2-(2-methylpropyl)pyridine;2-(2-methylpropyl)pyrimidine;4-(2-methylpropyl)pyrimidine;5-(2-methylpropyl)pyrrolidin-2-one;1,1,1-trifluoro-5-methylhexane
SMILESCC(C)CC1(O)CCCCC1.CC(C)CC1CCC(=O)N1.CC(C)CC1CCC(=O)O1.CC(C)CC1CCC1.CC(C)CC1CCCCC1.CC(C)CC1CCCCO1.CC(C)CC1CCCO1.CC(C)CCC1CCC1.CC(C)CCCC#N.CC(C)CCCC(F)(F)F.CC(C)CCCC1CC1.CC(C)CCCCC#N.CC(C)Cc1ccccn1.CC(C)Cc1ccn(C)n1.CC(C)Cc1ccncn1.CC(C)Cc1cnccn1.CC(C)Cc1cnn(C)c1.CC(C)Cc1ncccn1.CCCCCC(C)C.Cc1cc(CC(C)C)n[nH]1.Cc1cc(CC(C)C)no1.Cc1nc(CC(C)C)no1.Cc1ncc(CC(C)C)o1.Cc1ncc(CC(C)C)s1.Cc1nnc(CC(C)C)o1
InChIInChI=1S/C10H20O.C10H20.C9H13N.C9H18O.2C9H18.3C8H14N2.3C8H12N2.2C8H13NO.C8H15NO.C8H13NS.C8H15N.C8H14O2.C8H16O.C8H16.C8H18.C7H13F3.2C7H12N2O.C7H13N/c1-9(2)8-10(11)6-4-3-5-7-10;1-9(2)8-10-6-4-3-5-7-10;2*1-8(2)7-9-5-3-4-6-10-9;1-8(2)6-7-9-4-3-5-9;1-8(2)4-3-5-9-6-7-9;1-7(2)4-8-5-9-10(3)6-8;1-6(2)4-8-5-7(3)9-10-8;1-7(2)6-8-4-5-10(3)9-8;1-7(2)5-8-6-9-3-4-10-8;1-7(2)5-8-3-4-9-6-10-8;1-7(2)6-8-9-4-3-5-10-8;1-6(2)4-8-5-9-7(3)10-8;1-6(2)4-8-5-7(3)10-9-8;1-6(2)5-7-3-4-8(10)9-7;1-6(2)4-8-5-9-7(3)10-8;1-8(2)6-4-3-5-7-9;1-6(2)5-7-3-4-8(9)10-7;1-7(2)6-8-4-3-5-9-8;1-7(2)6-8-4-3-5-8;1-4-5-6-7-8(2)3;1-6(2)4-3-5-7(8,9)10;1-5(2)4-7-9-8-6(3)10-7;1-5(2)4-7-8-6(3)10-9-7;1-7(2)5-3-4-6-8/h9,11H,3-8H2,1-2H3;9-10H,3-8H2,1-2H3;3-6,8H,7H2,1-2H3;8-9H,3-7H2,1-2H3;2*8-9H,3-7H2,1-2H3;5-7H,4H2,1-3H3;5-6H,4H2,1-3H3,(H,9,10);4-5,7H,6H2,1-3H3;2*3-4,6-7H,5H2,1-2H3;3-5,7H,6H2,1-2H3;2*5-6H,4H2,1-3H3;6-7H,3-5H2,1-2H3,(H,9,10);5-6H,4H2,1-3H3;8H,3-6H2,1-2H3;6-7H,3-5H2,1-2H3;7-8H,3-6H2,1-2H3;7-8H,3-6H2,1-2H3;8H,4-7H2,1-3H3;6H,3-5H2,1-2H3;2*5H,4H2,1-3H3;7H,3-5H2,1-2H3
InChIKeyVLQSNDVVUOLJAR-UHFFFAOYSA-N
XLogP57.77
TPSA439.01 Ų
H-Bond Donors3
H-Bond Acceptors32
Rotatable Bonds59
Heavy Atoms241
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003392.40
LogP ≤ 557.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1032

Computed Properties (RDKit)

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

Analyze 3-methylbutylcyclobutane;2-methylheptane;6-methylheptanenitrile;5-methylhexanenitrile;2-methyl-5-(2-methylpropyl)-1,3,4-oxadiazole;5-methyl-3-(2-methylpropyl)-1,2,4-oxadiazole;2-methyl-5-(2-methylpropyl)-1,3-oxazole;5-methyl-3-(2-methylpropyl)-1,2-oxazole;1-methyl-3-(2-methylpropyl)pyrazole;1-methyl-4-(2-methylpropyl)pyrazole;5-methyl-3-(2-methylpropyl)-1H-pyrazole;2-methyl-5-(2-methylpropyl)-1,3-thiazole;4-methylpentylcyclopropane;2-methylpropylcyclobutane;2-methylpropylcyclohexane;1-(2-methylpropyl)cyclohexan-1-ol;2-(2-methylpropyl)oxane;2-(2-methylpropyl)oxolane;5-(2-methylpropyl)oxolan-2-one;2-(2-methylpropyl)pyrazine;2-(2-methylpropyl)pyridine;2-(2-methylpropyl)pyrimidine;4-(2-methylpropyl)pyrimidine;5-(2-methylpropyl)pyrrolidin-2-one;1,1,1-trifluoro-5-methylhexane with MolForge

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Launch Full Analysis

Related Compounds

1-Benzyl-4-propan-2-ylpyrazole;5-tert-butyl-2-methyl-1,3-oxazole;3-cyclopropyl-5-propan-2-yl-1,2-oxazole;1-(2,2-difluoropropyl)-4-propan-2-ylpyrazole;1,3-dimethyl-4-propan-2-ylpyrazole;2,4-dimethyl-5-propan-2-yltriazole;3,5-dimethyl-1-propan-2-yl-1,2,4-triazole;1-ethyl-4-propan-2-yltriazole;2-fluoro-4-propan-2-ylpyridine;4-methyl-1-propan-2-ylimidazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-4-propan-2-yltriazole;3-methyl-1-propan-2-yl-1,2,4-triazole;1-propan-2-ylpyrazole;4-[2-(4-propan-2-ylpyrazol-1-yl)ethyl]morpholine;3-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole;1-propan-2-yl-1,2,4-triazole
CID 158159608
cumene;2-cyclopropyl-5-propan-2-ylpyridine;1,2-dimethyl-5-propan-2-ylimidazole;N,N-dimethyl-5-propan-2-ylpyrimidin-2-amine;2,5-di(propan-2-yl)-1H-imidazole;2,5-di(propan-2-yl)pyridine;1-hydroxy-3-propan-2-ylpyridin-1-ium;methane;2-methyl-5-propan-2-yl-1H-imidazole;pentakis(2-methyl-5-propan-2-ylpyridine);1-propan-2-ylcyclopenta-1,3-diene;2-propan-2-yl-1H-imidazole;3-propan-2-yl-1,2,4-oxadiazole;4-propan-2-yloxadiazole;5-propan-2-yloxadiazole;5-propan-2-yl-1,2,4-oxadiazole;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;bis(2-propan-2-ylpyridine);bis(3-propan-2-ylpyridine);4-propan-2-ylpyridine;5-propan-2-ylpyridine-2-carboxylic acid;4-propan-2-ylpyrimidine;4-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;bis(5-propan-2-yl-2-(trifluoromethyl)pyridine)
CID 158218996
CID 159328819
CID 159328819
2-cyclopropyl-5-propan-2-ylpyridine;2,5-di(propan-2-yl)pyridine;2,5-di(propan-2-yl)pyrimidine;2-ethyl-5-propan-2-ylpyridine;1-hydroxy-3-propan-2-ylpyridin-1-ium;2-methyl-5-propan-2-yl-1H-imidazole;2-methyl-5-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyrimidine;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;3-propan-2-yl-1,2,4-oxadiazole;4-propan-2-yloxadiazole;5-propan-2-yloxadiazole;5-propan-2-yl-1,2,4-oxadiazole;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;5-propan-2-yl-2-propylpyridine;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-ylpyridine-2-carboxylic acid;(5-propan-2-yl-2-pyridinyl)methanol;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole;bis(5-propan-2-yl-2-(trifluoromethyl)pyridine)
CID 159736945
CID 161180427
CID 161180427
CID 161354559
CID 161354559
1-tert-butylcyclobutane-1-carbonitrile;4-tert-butyl-3,5-dimethyl-1,2-oxazole;1-tert-butyl-4-(2,2-dimethylpropyl)piperazine;4-tert-butyl-1,5-dimethylpyrazole;1-tert-butyl-1-isocyanocyclopropane;4-tert-butyl-1-(2-methoxyethyl)pyrazole;tert-butyl 3-[(2-methylpropan-2-yl)oxy]azetidine-1-carboxylate;4-tert-butyl-1-methylpyrazole;5-tert-butyl-1-propan-2-ylpyrazole;4-tert-butyl-1H-pyrazole;3-tert-butylpyridine;5-tert-butylpyrimidine;5-tert-butyl-1,3-thiazole;carbon dioxide;1,1-difluoro-2-[(2-methylpropan-2-yl)oxymethyl]cyclopropane;3-(3,3-dimethylbutyl)furan;1-(2,2-dimethylpropyl)-4-methylpiperazine;4-(2,2-dimethylpropyl)morpholine;N-(furan-2-ylmethyl)-2-methylpropan-2-amine;2-(1-isocyanoethoxy)-2-methylpropane;(2-methylpropan-2-yl)oxycyclopropane;(2-methylpropan-2-yl)oxymethylcyclopropane;tris(2-methyl-2-propan-2-yloxypropane)
CID 161534457
CID 161538398
CID 161538398
cumene;2-propan-2-yl-1,3,4-oxadiazole;3-propan-2-yl-1,2,4-oxadiazole;5-propan-2-yl-1,2,4-oxadiazole;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;4-propan-2-yl-1H-pyrazole;bis(5-propan-2-yl-1H-pyrazole);3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;bis(5-propan-2-yl-2H-tetrazole);2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1H-1,2,4-triazole
CID 157180754
2-tert-butyl-1H-imidazole;bis(5-tert-butyl-1H-imidazole);2-tert-butyl-1,3,4-oxadiazole;2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole;2-tert-butylpyrazine;5-tert-butyl-1H-pyrazole;3-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;2-tert-butyl-1,3-thiazole
CID 159559946
1-benzyl-4-methylpyrazole;3-cyclopropyl-5-propan-2-yl-1,2-oxazole;2-cyclopropyl-5-propan-2-yl-1,3-thiazole;3-cyclopropyl-1-propan-2-yl-1,2,4-triazole;2,4-dimethyl-5-propan-2-yl-3H-pyrrole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;1-ethyl-3,5-dimethylpyrazole;2-ethyl-4-methyltriazole;3-ethyl-5-propan-2-yl-1,2,4-oxadiazole;1-fluoro-3-propan-2-ylbenzene;2-fluoro-4-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1,3-oxazole;2-methyl-5-propan-2-ylthiophene;4-methyl-2-propan-2-ylthiophene;4-propan-2-yl-1-propylpyrazole;5-propan-2-yl-1H-pyrazole;4-[2-(4-propan-2-ylpyrazol-1-yl)ethyl]morpholine;5-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3-thiazole;1-[(4-propan-2-ylthiophen-2-yl)methyl]piperidine
CID 159611635
2-propan-2-yl-1,3,4-oxadiazole;3-propan-2-yl-1,2,4-oxadiazole;5-propan-2-yl-1,2,4-oxadiazole;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;4-propan-2-yl-1H-pyrazole;bis(5-propan-2-yl-1H-pyrazole);3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;bis(5-propan-2-yl-2H-tetrazole);2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1H-1,2,4-triazole
CID 159724317

Frequently Asked Questions

What is the IUPAC name of 3-methylbutylcyclobutane;2-methylheptane;6-methylheptanenitrile;5-methylhexanenitrile;2-methyl-5-(2-methylpropyl)-1,3,4-oxadiazole;5-methyl-3-(2-methylpropyl)-1,2,4-oxadiazole;2-methyl-5-(2-methylpropyl)-1,3-oxazole;5-methyl-3-(2-methylpropyl)-1,2-oxazole;1-methyl-3-(2-methylpropyl)pyrazole;1-methyl-4-(2-methylpropyl)pyrazole;5-methyl-3-(2-methylpropyl)-1H-pyrazole;2-methyl-5-(2-methylpropyl)-1,3-thiazole;4-methylpentylcyclopropane;2-methylpropylcyclobutane;2-methylpropylcyclohexane;1-(2-methylpropyl)cyclohexan-1-ol;2-(2-methylpropyl)oxane;2-(2-methylpropyl)oxolane;5-(2-methylpropyl)oxolan-2-one;2-(2-methylpropyl)pyrazine;2-(2-methylpropyl)pyridine;2-(2-methylpropyl)pyrimidine;4-(2-methylpropyl)pyrimidine;5-(2-methylpropyl)pyrrolidin-2-one;1,1,1-trifluoro-5-methylhexane?
The IUPAC name of 3-methylbutylcyclobutane;2-methylheptane;6-methylheptanenitrile;5-methylhexanenitrile;2-methyl-5-(2-methylpropyl)-1,3,4-oxadiazole;5-methyl-3-(2-methylpropyl)-1,2,4-oxadiazole;2-methyl-5-(2-methylpropyl)-1,3-oxazole;5-methyl-3-(2-methylpropyl)-1,2-oxazole;1-methyl-3-(2-methylpropyl)pyrazole;1-methyl-4-(2-methylpropyl)pyrazole;5-methyl-3-(2-methylpropyl)-1H-pyrazole;2-methyl-5-(2-methylpropyl)-1,3-thiazole;4-methylpentylcyclopropane;2-methylpropylcyclobutane;2-methylpropylcyclohexane;1-(2-methylpropyl)cyclohexan-1-ol;2-(2-methylpropyl)oxane;2-(2-methylpropyl)oxolane;5-(2-methylpropyl)oxolan-2-one;2-(2-methylpropyl)pyrazine;2-(2-methylpropyl)pyridine;2-(2-methylpropyl)pyrimidine;4-(2-methylpropyl)pyrimidine;5-(2-methylpropyl)pyrrolidin-2-one;1,1,1-trifluoro-5-methylhexane (CID 161332929) is 3-methylbutylcyclobutane;2-methylheptane;6-methylheptanenitrile;5-methylhexanenitrile;2-methyl-5-(2-methylpropyl)-1,3,4-oxadiazole;5-methyl-3-(2-methylpropyl)-1,2,4-oxadiazole;2-methyl-5-(2-methylpropyl)-1,3-oxazole;5-methyl-3-(2-methylpropyl)-1,2-oxazole;1-methyl-3-(2-methylpropyl)pyrazole;1-methyl-4-(2-methylpropyl)pyrazole;5-methyl-3-(2-methylpropyl)-1H-pyrazole;2-methyl-5-(2-methylpropyl)-1,3-thiazole;4-methylpentylcyclopropane;2-methylpropylcyclobutane;2-methylpropylcyclohexane;1-(2-methylpropyl)cyclohexan-1-ol;2-(2-methylpropyl)oxane;2-(2-methylpropyl)oxolane;5-(2-methylpropyl)oxolan-2-one;2-(2-methylpropyl)pyrazine;2-(2-methylpropyl)pyridine;2-(2-methylpropyl)pyrimidine;4-(2-methylpropyl)pyrimidine;5-(2-methylpropyl)pyrrolidin-2-one;1,1,1-trifluoro-5-methylhexane.
What is the SMILES notation for 3-methylbutylcyclobutane;2-methylheptane;6-methylheptanenitrile;5-methylhexanenitrile;2-methyl-5-(2-methylpropyl)-1,3,4-oxadiazole;5-methyl-3-(2-methylpropyl)-1,2,4-oxadiazole;2-methyl-5-(2-methylpropyl)-1,3-oxazole;5-methyl-3-(2-methylpropyl)-1,2-oxazole;1-methyl-3-(2-methylpropyl)pyrazole;1-methyl-4-(2-methylpropyl)pyrazole;5-methyl-3-(2-methylpropyl)-1H-pyrazole;2-methyl-5-(2-methylpropyl)-1,3-thiazole;4-methylpentylcyclopropane;2-methylpropylcyclobutane;2-methylpropylcyclohexane;1-(2-methylpropyl)cyclohexan-1-ol;2-(2-methylpropyl)oxane;2-(2-methylpropyl)oxolane;5-(2-methylpropyl)oxolan-2-one;2-(2-methylpropyl)pyrazine;2-(2-methylpropyl)pyridine;2-(2-methylpropyl)pyrimidine;4-(2-methylpropyl)pyrimidine;5-(2-methylpropyl)pyrrolidin-2-one;1,1,1-trifluoro-5-methylhexane?
The canonical SMILES for 3-methylbutylcyclobutane;2-methylheptane;6-methylheptanenitrile;5-methylhexanenitrile;2-methyl-5-(2-methylpropyl)-1,3,4-oxadiazole;5-methyl-3-(2-methylpropyl)-1,2,4-oxadiazole;2-methyl-5-(2-methylpropyl)-1,3-oxazole;5-methyl-3-(2-methylpropyl)-1,2-oxazole;1-methyl-3-(2-methylpropyl)pyrazole;1-methyl-4-(2-methylpropyl)pyrazole;5-methyl-3-(2-methylpropyl)-1H-pyrazole;2-methyl-5-(2-methylpropyl)-1,3-thiazole;4-methylpentylcyclopropane;2-methylpropylcyclobutane;2-methylpropylcyclohexane;1-(2-methylpropyl)cyclohexan-1-ol;2-(2-methylpropyl)oxane;2-(2-methylpropyl)oxolane;5-(2-methylpropyl)oxolan-2-one;2-(2-methylpropyl)pyrazine;2-(2-methylpropyl)pyridine;2-(2-methylpropyl)pyrimidine;4-(2-methylpropyl)pyrimidine;5-(2-methylpropyl)pyrrolidin-2-one;1,1,1-trifluoro-5-methylhexane is CC(C)CC1(O)CCCCC1.CC(C)CC1CCC(=O)N1.CC(C)CC1CCC(=O)O1.CC(C)CC1CCC1.CC(C)CC1CCCCC1.CC(C)CC1CCCCO1.CC(C)CC1CCCO1.CC(C)CCC1CCC1.CC(C)CCCC#N.CC(C)CCCC(F)(F)F.CC(C)CCCC1CC1.CC(C)CCCCC#N.CC(C)Cc1ccccn1.CC(C)Cc1ccn(C)n1.CC(C)Cc1ccncn1.CC(C)Cc1cnccn1.CC(C)Cc1cnn(C)c1.CC(C)Cc1ncccn1.CCCCCC(C)C.Cc1cc(CC(C)C)n[nH]1.Cc1cc(CC(C)C)no1.Cc1nc(CC(C)C)no1.Cc1ncc(CC(C)C)o1.Cc1ncc(CC(C)C)s1.Cc1nnc(CC(C)C)o1.
What is the InChIKey of 3-methylbutylcyclobutane;2-methylheptane;6-methylheptanenitrile;5-methylhexanenitrile;2-methyl-5-(2-methylpropyl)-1,3,4-oxadiazole;5-methyl-3-(2-methylpropyl)-1,2,4-oxadiazole;2-methyl-5-(2-methylpropyl)-1,3-oxazole;5-methyl-3-(2-methylpropyl)-1,2-oxazole;1-methyl-3-(2-methylpropyl)pyrazole;1-methyl-4-(2-methylpropyl)pyrazole;5-methyl-3-(2-methylpropyl)-1H-pyrazole;2-methyl-5-(2-methylpropyl)-1,3-thiazole;4-methylpentylcyclopropane;2-methylpropylcyclobutane;2-methylpropylcyclohexane;1-(2-methylpropyl)cyclohexan-1-ol;2-(2-methylpropyl)oxane;2-(2-methylpropyl)oxolane;5-(2-methylpropyl)oxolan-2-one;2-(2-methylpropyl)pyrazine;2-(2-methylpropyl)pyridine;2-(2-methylpropyl)pyrimidine;4-(2-methylpropyl)pyrimidine;5-(2-methylpropyl)pyrrolidin-2-one;1,1,1-trifluoro-5-methylhexane?
The InChIKey is VLQSNDVVUOLJAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O.C10H20.C9H13N.C9H18O.2C9H18.3C8H14N2.3C8H12N2.2C8H13NO.C8H15NO.C8H13NS.C8H15N.C8H14O2.C8H16O.C8H16.C8H18.C7H13F3.2C7H12N2O.C7H13N/c1-9(2)8-10(11)6-4-3-5-7-10;1-9(2)8-10-6-4-3-5-7-10;2*1-8(2)7-9-5-3-4-6-10-9;1-8(2)6-7-9-4-3-5-9;1-8(2)4-3-5-9-6-7-9;1-7(2)4-8-5-9-10(3)6-8;1-6(2)4-8-5-7(3)9-10-8;1-7(2)6-8-4-5-10(3)9-8;1-7(2)5-8-6-9-3-4-10-8;1-7(2)5-8-3-4-9-6-10-8;1-7(2)6-8-9-4-3-5-10-8;1-6(2)4-8-5-9-7(3)10-8;1-6(2)4-8-5-7(3)10-9-8;1-6(2)5-7-3-4-8(10)9-7;1-6(2)4-8-5-9-7(3)10-8;1-8(2)6-4-3-5-7-9;1-6(2)5-7-3-4-8(9)10-7;1-7(2)6-8-4-3-5-9-8;1-7(2)6-8-4-3-5-8;1-4-5-6-7-8(2)3;1-6(2)4-3-5-7(8,9)10;1-5(2)4-7-9-8-6(3)10-7;1-5(2)4-7-8-6(3)10-9-7;1-7(2)5-3-4-6-8/h9,11H,3-8H2,1-2H3;9-10H,3-8H2,1-2H3;3-6,8H,7H2,1-2H3;8-9H,3-7H2,1-2H3;2*8-9H,3-7H2,1-2H3;5-7H,4H2,1-3H3;5-6H,4H2,1-3H3,(H,9,10);4-5,7H,6H2,1-3H3;2*3-4,6-7H,5H2,1-2H3;3-5,7H,6H2,1-2H3;2*5-6H,4H2,1-3H3;6-7H,3-5H2,1-2H3,(H,9,10);5-6H,4H2,1-3H3;8H,3-6H2,1-2H3;6-7H,3-5H2,1-2H3;7-8H,3-6H2,1-2H3;7-8H,3-6H2,1-2H3;8H,4-7H2,1-3H3;6H,3-5H2,1-2H3;2*5H,4H2,1-3H3;7H,3-5H2,1-2H3.
What are the key properties of 3-methylbutylcyclobutane;2-methylheptane;6-methylheptanenitrile;5-methylhexanenitrile;2-methyl-5-(2-methylpropyl)-1,3,4-oxadiazole;5-methyl-3-(2-methylpropyl)-1,2,4-oxadiazole;2-methyl-5-(2-methylpropyl)-1,3-oxazole;5-methyl-3-(2-methylpropyl)-1,2-oxazole;1-methyl-3-(2-methylpropyl)pyrazole;1-methyl-4-(2-methylpropyl)pyrazole;5-methyl-3-(2-methylpropyl)-1H-pyrazole;2-methyl-5-(2-methylpropyl)-1,3-thiazole;4-methylpentylcyclopropane;2-methylpropylcyclobutane;2-methylpropylcyclohexane;1-(2-methylpropyl)cyclohexan-1-ol;2-(2-methylpropyl)oxane;2-(2-methylpropyl)oxolane;5-(2-methylpropyl)oxolan-2-one;2-(2-methylpropyl)pyrazine;2-(2-methylpropyl)pyridine;2-(2-methylpropyl)pyrimidine;4-(2-methylpropyl)pyrimidine;5-(2-methylpropyl)pyrrolidin-2-one;1,1,1-trifluoro-5-methylhexane?
3-methylbutylcyclobutane;2-methylheptane;6-methylheptanenitrile;5-methylhexanenitrile;2-methyl-5-(2-methylpropyl)-1,3,4-oxadiazole;5-methyl-3-(2-methylpropyl)-1,2,4-oxadiazole;2-methyl-5-(2-methylpropyl)-1,3-oxazole;5-methyl-3-(2-methylpropyl)-1,2-oxazole;1-methyl-3-(2-methylpropyl)pyrazole;1-methyl-4-(2-methylpropyl)pyrazole;5-methyl-3-(2-methylpropyl)-1H-pyrazole;2-methyl-5-(2-methylpropyl)-1,3-thiazole;4-methylpentylcyclopropane;2-methylpropylcyclobutane;2-methylpropylcyclohexane;1-(2-methylpropyl)cyclohexan-1-ol;2-(2-methylpropyl)oxane;2-(2-methylpropyl)oxolane;5-(2-methylpropyl)oxolan-2-one;2-(2-methylpropyl)pyrazine;2-(2-methylpropyl)pyridine;2-(2-methylpropyl)pyrimidine;4-(2-methylpropyl)pyrimidine;5-(2-methylpropyl)pyrrolidin-2-one;1,1,1-trifluoro-5-methylhexane has a molecular weight of 3392.40 g/mol, XLogP of 57.77, 59 rotatable bonds, 3 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylbutylcyclobutane;2-methylheptane;6-methylheptanenitrile;5-methylhexanenitrile;2-methyl-5-(2-methylpropyl)-1,3,4-oxadiazole;5-methyl-3-(2-methylpropyl)-1,2,4-oxadiazole;2-methyl-5-(2-methylpropyl)-1,3-oxazole;5-methyl-3-(2-methylpropyl)-1,2-oxazole;1-methyl-3-(2-methylpropyl)pyrazole;1-methyl-4-(2-methylpropyl)pyrazole;5-methyl-3-(2-methylpropyl)-1H-pyrazole;2-methyl-5-(2-methylpropyl)-1,3-thiazole;4-methylpentylcyclopropane;2-methylpropylcyclobutane;2-methylpropylcyclohexane;1-(2-methylpropyl)cyclohexan-1-ol;2-(2-methylpropyl)oxane;2-(2-methylpropyl)oxolane;5-(2-methylpropyl)oxolan-2-one;2-(2-methylpropyl)pyrazine;2-(2-methylpropyl)pyridine;2-(2-methylpropyl)pyrimidine;4-(2-methylpropyl)pyrimidine;5-(2-methylpropyl)pyrrolidin-2-one;1,1,1-trifluoro-5-methylhexane is sourced from PubChem (CID 161332929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).