2-cyclopropyl-5-methylhex-3-yn-2-ol;1-(2,5-dimethylhex-3-yn-2-yl)imidazole;2-(2,5-dimethylhex-3-yn-2-yl)-1H-imidazole;N-(2,5-dimethylhex-3-yn-2-yl)-1-methylazetidin-3-amine;1-(2,5-dimethylhex-3-yn-2-yl)-2-methylimidazole;1-(2,5-dimethylhex-3-yn-2-yl)-4-methylpiperazine;2,5-dimethyl-1-(1,2,4-triazol-1-yl)hex-3-yn-2-ol;2-(furan-2-yl)-5-methylhex-3-yn-2-ol;(1S)-4-methyl-1-(1-methylimidazol-4-yl)pent-2-yn-1-ol;(1R)-4-methyl-1-(1-methylimidazol-4-yl)pent-2-yn-1-ol;bis(1-methyl-4-(4-methylpent-2-ynyl)piperazine);4-(4-methylpent-2-ynyl)morpholine;5-methyl-2-phenylhex-3-yn-2-ol

C155H242N22O8 — CID 159356923

IUPAC2-cyclopropyl-5-methylhex-3-yn-2-ol;1-(2,5-dimethylhex-3-yn-2-yl)imidazole;2-(2,5-dimethylhex-3-yn-2-yl)-1H-imidazole;N-(2,5-dimethylhex-3-yn-2-yl)-1-methylazetidin-3-amine;1-(2,5-dimethylhex-3-yn-2-yl)-2-methylimidazole;1-(2,5-dimethylhex-3-yn-2-yl)-4-methylpiperazine;2,5-dimethyl-1-(1,2,4-triazol-1-yl)hex-3-yn-2-ol;2-(furan-2-yl)-5-methylhex-3-yn-2-ol;(1S)-4-methyl-1-(1-methylimidazol-4-yl)pent-2-yn-1-ol;(1R)-4-methyl-1-(1-methylimidazol-4-yl)pent-2-yn-1-ol;bis(1-methyl-4-(4-methylpent-2-ynyl)piperazine);4-(4-methylpent-2-ynyl)morpholine;5-methyl-2-phenylhex-3-yn-2-ol
SMILESCC(C)C#CC(C)(C)N1CCN(C)CC1.CC(C)C#CC(C)(C)NC1CN(C)C1.CC(C)C#CC(C)(C)c1ncc[nH]1.CC(C)C#CC(C)(C)n1ccnc1.CC(C)C#CC(C)(O)C1CC1.CC(C)C#CC(C)(O)Cn1cncn1.CC(C)C#CC(C)(O)c1ccccc1.CC(C)C#CC(C)(O)c1ccco1.CC(C)C#CCN1CCN(C)CC1.CC(C)C#CCN1CCN(C)CC1.CC(C)C#CCN1CCOCC1.CC(C)C#C[C@@H](O)c1cn(C)cn1.CC(C)C#C[C@H](O)c1cn(C)cn1.Cc1nccn1C(C)(C)C#CC(C)C
InChIInChI=1S/C13H24N2.C13H16O.C12H22N2.C12H18N2.2C11H16N2.2C11H20N2.C11H14O2.C10H15N3O.2C10H14N2O.C10H17NO.C10H16O/c1-12(2)6-7-13(3,4)15-10-8-14(5)9-11-15;1-11(2)9-10-13(3,14)12-7-5-4-6-8-12;1-10(2)6-7-12(3,4)13-11-8-14(5)9-11;1-10(2)6-7-12(4,5)14-9-8-13-11(14)3;1-10(2)5-6-11(3,4)13-8-7-12-9-13;1-9(2)5-6-11(3,4)10-12-7-8-13-10;2*1-11(2)5-4-6-13-9-7-12(3)8-10-13;1-9(2)6-7-11(3,12)10-5-4-8-13-10;1-9(2)4-5-10(3,14)6-13-8-11-7-12-13;2*1-8(2)4-5-10(13)9-6-12(3)7-11-9;1-10(2)4-3-5-11-6-8-12-9-7-11;1-8(2)6-7-10(3,11)9-4-5-9/h12H,8-11H2,1-5H3;4-8,11,14H,1-3H3;10-11,13H,8-9H2,1-5H3;8-10H,1-5H3;7-10H,1-4H3;7-9H,1-4H3,(H,12,13);2*11H,6-10H2,1-3H3;4-5,8-9,12H,1-3H3;7-9,14H,6H2,1-3H3;2*6-8,10,13H,1-3H3;10H,5-9H2,1-2H3;8-9,11H,4-5H2,1-3H3/t;;;;;;;;;;2*10-;;/m..........10../s1
InChIKeyLIASUMDGUDBLJQ-YWERXNSGSA-N
MW2541.79 g/mol
LogP22.40
Rot. Bonds16

About 2-cyclopropyl-5-methylhex-3-yn-2-ol;1-(2,5-dimethylhex-3-yn-2-yl)imidazole;2-(2,5-dimethylhex-3-yn-2-yl)-1H-imidazole;N-(2,5-dimethylhex-3-yn-2-yl)-1-methylazetidin-3-amine;1-(2,5-dimethylhex-3-yn-2-yl)-2-methylimidazole;1-(2,5-dimethylhex-3-yn-2-yl)-4-methylpiperazine;2,5-dimethyl-1-(1,2,4-triazol-1-yl)hex-3-yn-2-ol;2-(furan-2-yl)-5-methylhex-3-yn-2-ol;(1S)-4-methyl-1-(1-methylimidazol-4-yl)pent-2-yn-1-ol;(1R)-4-methyl-1-(1-methylimidazol-4-yl)pent-2-yn-1-ol;bis(1-methyl-4-(4-methylpent-2-ynyl)piperazine);4-(4-methylpent-2-ynyl)morpholine;5-methyl-2-phenylhex-3-yn-2-ol

2-cyclopropyl-5-methylhex-3-yn-2-ol;1-(2,5-dimethylhex-3-yn-2-yl)imidazole;2-(2,5-dimethylhex-3-yn-2-yl)-1H-imidazole;N-(2,5-dimethylhex-3-yn-2-yl)-1-methylazetidin-3-amine;1-(2,5-dimethylhex-3-yn-2-yl)-2-methylimidazole;1-(2,5-dimethylhex-3-yn-2-yl)-4-methylpiperazine;2,5-dimethyl-1-(1,2,4-triazol-1-yl)hex-3-yn-2-ol;2-(furan-2-yl)-5-methylhex-3-yn-2-ol;(1S)-4-methyl-1-(1-methylimidazol-4-yl)pent-2-yn-1-ol;(1R)-4-methyl-1-(1-methylimidazol-4-yl)pent-2-yn-1-ol;bis(1-methyl-4-(4-methylpent-2-ynyl)piperazine);4-(4-methylpent-2-ynyl)morpholine;5-methyl-2-phenylhex-3-yn-2-ol (PubChem CID 159356923) has the molecular formula C155H242N22O8 and a molecular weight of 2541.79 g/mol. Its IUPAC name is 2-cyclopropyl-5-methylhex-3-yn-2-ol;1-(2,5-dimethylhex-3-yn-2-yl)imidazole;2-(2,5-dimethylhex-3-yn-2-yl)-1H-imidazole;N-(2,5-dimethylhex-3-yn-2-yl)-1-methylazetidin-3-amine;1-(2,5-dimethylhex-3-yn-2-yl)-2-methylimidazole;1-(2,5-dimethylhex-3-yn-2-yl)-4-methylpiperazine;2,5-dimethyl-1-(1,2,4-triazol-1-yl)hex-3-yn-2-ol;2-(furan-2-yl)-5-methylhex-3-yn-2-ol;(1S)-4-methyl-1-(1-methylimidazol-4-yl)pent-2-yn-1-ol;(1R)-4-methyl-1-(1-methylimidazol-4-yl)pent-2-yn-1-ol;bis(1-methyl-4-(4-methylpent-2-ynyl)piperazine);4-(4-methylpent-2-ynyl)morpholine;5-methyl-2-phenylhex-3-yn-2-ol.

Molecular Properties

Compound Name2-cyclopropyl-5-methylhex-3-yn-2-ol;1-(2,5-dimethylhex-3-yn-2-yl)imidazole;2-(2,5-dimethylhex-3-yn-2-yl)-1H-imidazole;N-(2,5-dimethylhex-3-yn-2-yl)-1-methylazetidin-3-amine;1-(2,5-dimethylhex-3-yn-2-yl)-2-methylimidazole;1-(2,5-dimethylhex-3-yn-2-yl)-4-methylpiperazine;2,5-dimethyl-1-(1,2,4-triazol-1-yl)hex-3-yn-2-ol;2-(furan-2-yl)-5-methylhex-3-yn-2-ol;(1S)-4-methyl-1-(1-methylimidazol-4-yl)pent-2-yn-1-ol;(1R)-4-methyl-1-(1-methylimidazol-4-yl)pent-2-yn-1-ol;bis(1-methyl-4-(4-methylpent-2-ynyl)piperazine);4-(4-methylpent-2-ynyl)morpholine;5-methyl-2-phenylhex-3-yn-2-ol
PubChem CID159356923
Molecular FormulaC155H242N22O8
Molecular Weight2541.79 g/mol
Exact Mass2539.92
IUPAC Name2-cyclopropyl-5-methylhex-3-yn-2-ol;1-(2,5-dimethylhex-3-yn-2-yl)imidazole;2-(2,5-dimethylhex-3-yn-2-yl)-1H-imidazole;N-(2,5-dimethylhex-3-yn-2-yl)-1-methylazetidin-3-amine;1-(2,5-dimethylhex-3-yn-2-yl)-2-methylimidazole;1-(2,5-dimethylhex-3-yn-2-yl)-4-methylpiperazine;2,5-dimethyl-1-(1,2,4-triazol-1-yl)hex-3-yn-2-ol;2-(furan-2-yl)-5-methylhex-3-yn-2-ol;(1S)-4-methyl-1-(1-methylimidazol-4-yl)pent-2-yn-1-ol;(1R)-4-methyl-1-(1-methylimidazol-4-yl)pent-2-yn-1-ol;bis(1-methyl-4-(4-methylpent-2-ynyl)piperazine);4-(4-methylpent-2-ynyl)morpholine;5-methyl-2-phenylhex-3-yn-2-ol
SMILESCC(C)C#CC(C)(C)N1CCN(C)CC1.CC(C)C#CC(C)(C)NC1CN(C)C1.CC(C)C#CC(C)(C)c1ncc[nH]1.CC(C)C#CC(C)(C)n1ccnc1.CC(C)C#CC(C)(O)C1CC1.CC(C)C#CC(C)(O)Cn1cncn1.CC(C)C#CC(C)(O)c1ccccc1.CC(C)C#CC(C)(O)c1ccco1.CC(C)C#CCN1CCN(C)CC1.CC(C)C#CCN1CCN(C)CC1.CC(C)C#CCN1CCOCC1.CC(C)C#C[C@@H](O)c1cn(C)cn1.CC(C)C#C[C@H](O)c1cn(C)cn1.Cc1nccn1C(C)(C)C#CC(C)C
InChIInChI=1S/C13H24N2.C13H16O.C12H22N2.C12H18N2.2C11H16N2.2C11H20N2.C11H14O2.C10H15N3O.2C10H14N2O.C10H17NO.C10H16O/c1-12(2)6-7-13(3,4)15-10-8-14(5)9-11-15;1-11(2)9-10-13(3,14)12-7-5-4-6-8-12;1-10(2)6-7-12(3,4)13-11-8-14(5)9-11;1-10(2)6-7-12(4,5)14-9-8-13-11(14)3;1-10(2)5-6-11(3,4)13-8-7-12-9-13;1-9(2)5-6-11(3,4)10-12-7-8-13-10;2*1-11(2)5-4-6-13-9-7-12(3)8-10-13;1-9(2)6-7-11(3,12)10-5-4-8-13-10;1-9(2)4-5-10(3,14)6-13-8-11-7-12-13;2*1-8(2)4-5-10(13)9-6-12(3)7-11-9;1-10(2)4-3-5-11-6-8-12-9-7-11;1-8(2)6-7-10(3,11)9-4-5-9/h12H,8-11H2,1-5H3;4-8,11,14H,1-3H3;10-11,13H,8-9H2,1-5H3;8-10H,1-5H3;7-10H,1-4H3;7-9H,1-4H3,(H,12,13);2*11H,6-10H2,1-3H3;4-5,8-9,12H,1-3H3;7-9,14H,6H2,1-3H3;2*6-8,10,13H,1-3H3;10H,5-9H2,1-2H3;8-9,11H,4-5H2,1-3H3/t;;;;;;;;;;2*10-;;/m..........10../s1
InChIKeyLIASUMDGUDBLJQ-YWERXNSGSA-N
XLogP22.40
TPSA312.37 Ų
H-Bond Donors8
H-Bond Acceptors29
Rotatable Bonds16
Heavy Atoms185
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002541.79
LogP ≤ 522.40
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1029

Computed Properties (RDKit)

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

Analyze 2-cyclopropyl-5-methylhex-3-yn-2-ol;1-(2,5-dimethylhex-3-yn-2-yl)imidazole;2-(2,5-dimethylhex-3-yn-2-yl)-1H-imidazole;N-(2,5-dimethylhex-3-yn-2-yl)-1-methylazetidin-3-amine;1-(2,5-dimethylhex-3-yn-2-yl)-2-methylimidazole;1-(2,5-dimethylhex-3-yn-2-yl)-4-methylpiperazine;2,5-dimethyl-1-(1,2,4-triazol-1-yl)hex-3-yn-2-ol;2-(furan-2-yl)-5-methylhex-3-yn-2-ol;(1S)-4-methyl-1-(1-methylimidazol-4-yl)pent-2-yn-1-ol;(1R)-4-methyl-1-(1-methylimidazol-4-yl)pent-2-yn-1-ol;bis(1-methyl-4-(4-methylpent-2-ynyl)piperazine);4-(4-methylpent-2-ynyl)morpholine;5-methyl-2-phenylhex-3-yn-2-ol with MolForge

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Launch Full Analysis

Related Compounds

1-(azetidin-3-yl)-2-methylpropan-1-ol;2-cyclopropyl-3-methylbutan-2-ol;1-(2,3-dimethylbutan-2-yl)imidazole;2-(2,3-dimethylbutan-2-yl)-1H-imidazole;N-(2,3-dimethylbutan-2-yl)-1-methylazetidin-3-amine;3-(2,3-dimethylbutan-2-yl)-2-methylidene-1,3-oxazolidine;4-(2,3-dimethylbutan-2-yl)-5-methylidene-1H-1,2,4-triazole;1-(2,3-dimethylbutan-2-yl)-2-methylimidazole;1-(2,3-dimethylbutan-2-yl)-4-methylpiperazine;2,3-dimethyl-1-pyrazol-1-ylbutan-2-ol;2-(furan-2-yl)-3-methylbutan-2-ol;(1S)-2-methyl-1-(1-methylimidazol-4-yl)propan-1-ol;(1R)-2-methyl-1-(1-methylimidazol-4-yl)propan-1-ol;bis(1-methyl-4-(2-methylpropyl)piperazine);3-methyl-2-phenylbutan-2-ol;4-(2-methylpropyl)morpholine
CID 157086376
1-(azetidin-3-yl)-2-methylpropan-1-ol;2-cyclopropyl-3-methylbutan-2-ol;1-(2,3-dimethylbutan-2-yl)imidazole;N-(2,3-dimethylbutan-2-yl)-1-methylazetidin-3-amine;3-(2,3-dimethylbutan-2-yl)-2-methylidene-1,3-oxazolidine;4-(2,3-dimethylbutan-2-yl)-5-methylidene-1H-1,2,4-triazole;1-(2,3-dimethylbutan-2-yl)-2-methylimidazole;1-(2,3-dimethylbutan-2-yl)-4-methylpiperazine;2-(2,3-dimethylbutan-2-yl)-3H-pyrrole;2,3-dimethyl-1-pyrazol-1-ylbutan-2-ol;2-(furan-2-yl)-3-methylbutan-2-ol;methane;(1R)-2-methyl-1-(1-methylimidazol-4-yl)propan-1-ol;(1S)-2-methyl-1-(1-methylimidazol-4-yl)propan-1-ol;bis(1-methyl-4-(2-methylpropyl)piperazine);3-methyl-2-phenylbutan-2-ol;4-(2-methylpropyl)morpholine
CID 157177086
1-(azetidin-3-yl)-2-methylpropan-1-ol;2-cyclopropyl-3-methylbutan-2-ol;1-(2,3-dimethylbutan-2-yl)imidazole;2-(2,3-dimethylbutan-2-yl)-1H-imidazole;N-(2,3-dimethylbutan-2-yl)-1-methylazetidin-3-amine;3-(2,3-dimethylbutan-2-yl)-2-methylidene-1,3-oxazolidine;4-(2,3-dimethylbutan-2-yl)-5-methylidene-1H-1,2,4-triazole;1-(2,3-dimethylbutan-2-yl)-2-methylimidazole;1-(2,3-dimethylbutan-2-yl)-4-methylpiperazine;2,3-dimethyl-1-pyrazol-1-ylbutan-2-ol;2-(furan-2-yl)-3-methylbutan-2-ol;methane;(1R)-2-methyl-1-(1-methylimidazol-4-yl)propan-1-ol;(1S)-2-methyl-1-(1-methylimidazol-4-yl)propan-1-ol;bis(1-methyl-4-(2-methylpropyl)piperazine);3-methyl-2-phenylbutan-2-ol;4-(2-methylpropyl)morpholine
CID 158166687

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5-methylhex-3-yn-2-ol;1-(2,5-dimethylhex-3-yn-2-yl)imidazole;2-(2,5-dimethylhex-3-yn-2-yl)-1H-imidazole;N-(2,5-dimethylhex-3-yn-2-yl)-1-methylazetidin-3-amine;1-(2,5-dimethylhex-3-yn-2-yl)-2-methylimidazole;1-(2,5-dimethylhex-3-yn-2-yl)-4-methylpiperazine;2,5-dimethyl-1-(1,2,4-triazol-1-yl)hex-3-yn-2-ol;2-(furan-2-yl)-5-methylhex-3-yn-2-ol;(1S)-4-methyl-1-(1-methylimidazol-4-yl)pent-2-yn-1-ol;(1R)-4-methyl-1-(1-methylimidazol-4-yl)pent-2-yn-1-ol;bis(1-methyl-4-(4-methylpent-2-ynyl)piperazine);4-(4-methylpent-2-ynyl)morpholine;5-methyl-2-phenylhex-3-yn-2-ol?
The IUPAC name of 2-cyclopropyl-5-methylhex-3-yn-2-ol;1-(2,5-dimethylhex-3-yn-2-yl)imidazole;2-(2,5-dimethylhex-3-yn-2-yl)-1H-imidazole;N-(2,5-dimethylhex-3-yn-2-yl)-1-methylazetidin-3-amine;1-(2,5-dimethylhex-3-yn-2-yl)-2-methylimidazole;1-(2,5-dimethylhex-3-yn-2-yl)-4-methylpiperazine;2,5-dimethyl-1-(1,2,4-triazol-1-yl)hex-3-yn-2-ol;2-(furan-2-yl)-5-methylhex-3-yn-2-ol;(1S)-4-methyl-1-(1-methylimidazol-4-yl)pent-2-yn-1-ol;(1R)-4-methyl-1-(1-methylimidazol-4-yl)pent-2-yn-1-ol;bis(1-methyl-4-(4-methylpent-2-ynyl)piperazine);4-(4-methylpent-2-ynyl)morpholine;5-methyl-2-phenylhex-3-yn-2-ol (CID 159356923) is 2-cyclopropyl-5-methylhex-3-yn-2-ol;1-(2,5-dimethylhex-3-yn-2-yl)imidazole;2-(2,5-dimethylhex-3-yn-2-yl)-1H-imidazole;N-(2,5-dimethylhex-3-yn-2-yl)-1-methylazetidin-3-amine;1-(2,5-dimethylhex-3-yn-2-yl)-2-methylimidazole;1-(2,5-dimethylhex-3-yn-2-yl)-4-methylpiperazine;2,5-dimethyl-1-(1,2,4-triazol-1-yl)hex-3-yn-2-ol;2-(furan-2-yl)-5-methylhex-3-yn-2-ol;(1S)-4-methyl-1-(1-methylimidazol-4-yl)pent-2-yn-1-ol;(1R)-4-methyl-1-(1-methylimidazol-4-yl)pent-2-yn-1-ol;bis(1-methyl-4-(4-methylpent-2-ynyl)piperazine);4-(4-methylpent-2-ynyl)morpholine;5-methyl-2-phenylhex-3-yn-2-ol.
What is the SMILES notation for 2-cyclopropyl-5-methylhex-3-yn-2-ol;1-(2,5-dimethylhex-3-yn-2-yl)imidazole;2-(2,5-dimethylhex-3-yn-2-yl)-1H-imidazole;N-(2,5-dimethylhex-3-yn-2-yl)-1-methylazetidin-3-amine;1-(2,5-dimethylhex-3-yn-2-yl)-2-methylimidazole;1-(2,5-dimethylhex-3-yn-2-yl)-4-methylpiperazine;2,5-dimethyl-1-(1,2,4-triazol-1-yl)hex-3-yn-2-ol;2-(furan-2-yl)-5-methylhex-3-yn-2-ol;(1S)-4-methyl-1-(1-methylimidazol-4-yl)pent-2-yn-1-ol;(1R)-4-methyl-1-(1-methylimidazol-4-yl)pent-2-yn-1-ol;bis(1-methyl-4-(4-methylpent-2-ynyl)piperazine);4-(4-methylpent-2-ynyl)morpholine;5-methyl-2-phenylhex-3-yn-2-ol?
The canonical SMILES for 2-cyclopropyl-5-methylhex-3-yn-2-ol;1-(2,5-dimethylhex-3-yn-2-yl)imidazole;2-(2,5-dimethylhex-3-yn-2-yl)-1H-imidazole;N-(2,5-dimethylhex-3-yn-2-yl)-1-methylazetidin-3-amine;1-(2,5-dimethylhex-3-yn-2-yl)-2-methylimidazole;1-(2,5-dimethylhex-3-yn-2-yl)-4-methylpiperazine;2,5-dimethyl-1-(1,2,4-triazol-1-yl)hex-3-yn-2-ol;2-(furan-2-yl)-5-methylhex-3-yn-2-ol;(1S)-4-methyl-1-(1-methylimidazol-4-yl)pent-2-yn-1-ol;(1R)-4-methyl-1-(1-methylimidazol-4-yl)pent-2-yn-1-ol;bis(1-methyl-4-(4-methylpent-2-ynyl)piperazine);4-(4-methylpent-2-ynyl)morpholine;5-methyl-2-phenylhex-3-yn-2-ol is CC(C)C#CC(C)(C)N1CCN(C)CC1.CC(C)C#CC(C)(C)NC1CN(C)C1.CC(C)C#CC(C)(C)c1ncc[nH]1.CC(C)C#CC(C)(C)n1ccnc1.CC(C)C#CC(C)(O)C1CC1.CC(C)C#CC(C)(O)Cn1cncn1.CC(C)C#CC(C)(O)c1ccccc1.CC(C)C#CC(C)(O)c1ccco1.CC(C)C#CCN1CCN(C)CC1.CC(C)C#CCN1CCN(C)CC1.CC(C)C#CCN1CCOCC1.CC(C)C#C[C@@H](O)c1cn(C)cn1.CC(C)C#C[C@H](O)c1cn(C)cn1.Cc1nccn1C(C)(C)C#CC(C)C.
What is the InChIKey of 2-cyclopropyl-5-methylhex-3-yn-2-ol;1-(2,5-dimethylhex-3-yn-2-yl)imidazole;2-(2,5-dimethylhex-3-yn-2-yl)-1H-imidazole;N-(2,5-dimethylhex-3-yn-2-yl)-1-methylazetidin-3-amine;1-(2,5-dimethylhex-3-yn-2-yl)-2-methylimidazole;1-(2,5-dimethylhex-3-yn-2-yl)-4-methylpiperazine;2,5-dimethyl-1-(1,2,4-triazol-1-yl)hex-3-yn-2-ol;2-(furan-2-yl)-5-methylhex-3-yn-2-ol;(1S)-4-methyl-1-(1-methylimidazol-4-yl)pent-2-yn-1-ol;(1R)-4-methyl-1-(1-methylimidazol-4-yl)pent-2-yn-1-ol;bis(1-methyl-4-(4-methylpent-2-ynyl)piperazine);4-(4-methylpent-2-ynyl)morpholine;5-methyl-2-phenylhex-3-yn-2-ol?
The InChIKey is LIASUMDGUDBLJQ-YWERXNSGSA-N. The full InChI is InChI=1S/C13H24N2.C13H16O.C12H22N2.C12H18N2.2C11H16N2.2C11H20N2.C11H14O2.C10H15N3O.2C10H14N2O.C10H17NO.C10H16O/c1-12(2)6-7-13(3,4)15-10-8-14(5)9-11-15;1-11(2)9-10-13(3,14)12-7-5-4-6-8-12;1-10(2)6-7-12(3,4)13-11-8-14(5)9-11;1-10(2)6-7-12(4,5)14-9-8-13-11(14)3;1-10(2)5-6-11(3,4)13-8-7-12-9-13;1-9(2)5-6-11(3,4)10-12-7-8-13-10;2*1-11(2)5-4-6-13-9-7-12(3)8-10-13;1-9(2)6-7-11(3,12)10-5-4-8-13-10;1-9(2)4-5-10(3,14)6-13-8-11-7-12-13;2*1-8(2)4-5-10(13)9-6-12(3)7-11-9;1-10(2)4-3-5-11-6-8-12-9-7-11;1-8(2)6-7-10(3,11)9-4-5-9/h12H,8-11H2,1-5H3;4-8,11,14H,1-3H3;10-11,13H,8-9H2,1-5H3;8-10H,1-5H3;7-10H,1-4H3;7-9H,1-4H3,(H,12,13);2*11H,6-10H2,1-3H3;4-5,8-9,12H,1-3H3;7-9,14H,6H2,1-3H3;2*6-8,10,13H,1-3H3;10H,5-9H2,1-2H3;8-9,11H,4-5H2,1-3H3/t;;;;;;;;;;2*10-;;/m..........10../s1.
What are the key properties of 2-cyclopropyl-5-methylhex-3-yn-2-ol;1-(2,5-dimethylhex-3-yn-2-yl)imidazole;2-(2,5-dimethylhex-3-yn-2-yl)-1H-imidazole;N-(2,5-dimethylhex-3-yn-2-yl)-1-methylazetidin-3-amine;1-(2,5-dimethylhex-3-yn-2-yl)-2-methylimidazole;1-(2,5-dimethylhex-3-yn-2-yl)-4-methylpiperazine;2,5-dimethyl-1-(1,2,4-triazol-1-yl)hex-3-yn-2-ol;2-(furan-2-yl)-5-methylhex-3-yn-2-ol;(1S)-4-methyl-1-(1-methylimidazol-4-yl)pent-2-yn-1-ol;(1R)-4-methyl-1-(1-methylimidazol-4-yl)pent-2-yn-1-ol;bis(1-methyl-4-(4-methylpent-2-ynyl)piperazine);4-(4-methylpent-2-ynyl)morpholine;5-methyl-2-phenylhex-3-yn-2-ol?
2-cyclopropyl-5-methylhex-3-yn-2-ol;1-(2,5-dimethylhex-3-yn-2-yl)imidazole;2-(2,5-dimethylhex-3-yn-2-yl)-1H-imidazole;N-(2,5-dimethylhex-3-yn-2-yl)-1-methylazetidin-3-amine;1-(2,5-dimethylhex-3-yn-2-yl)-2-methylimidazole;1-(2,5-dimethylhex-3-yn-2-yl)-4-methylpiperazine;2,5-dimethyl-1-(1,2,4-triazol-1-yl)hex-3-yn-2-ol;2-(furan-2-yl)-5-methylhex-3-yn-2-ol;(1S)-4-methyl-1-(1-methylimidazol-4-yl)pent-2-yn-1-ol;(1R)-4-methyl-1-(1-methylimidazol-4-yl)pent-2-yn-1-ol;bis(1-methyl-4-(4-methylpent-2-ynyl)piperazine);4-(4-methylpent-2-ynyl)morpholine;5-methyl-2-phenylhex-3-yn-2-ol has a molecular weight of 2541.79 g/mol, XLogP of 22.40, 16 rotatable bonds, 8 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5-methylhex-3-yn-2-ol;1-(2,5-dimethylhex-3-yn-2-yl)imidazole;2-(2,5-dimethylhex-3-yn-2-yl)-1H-imidazole;N-(2,5-dimethylhex-3-yn-2-yl)-1-methylazetidin-3-amine;1-(2,5-dimethylhex-3-yn-2-yl)-2-methylimidazole;1-(2,5-dimethylhex-3-yn-2-yl)-4-methylpiperazine;2,5-dimethyl-1-(1,2,4-triazol-1-yl)hex-3-yn-2-ol;2-(furan-2-yl)-5-methylhex-3-yn-2-ol;(1S)-4-methyl-1-(1-methylimidazol-4-yl)pent-2-yn-1-ol;(1R)-4-methyl-1-(1-methylimidazol-4-yl)pent-2-yn-1-ol;bis(1-methyl-4-(4-methylpent-2-ynyl)piperazine);4-(4-methylpent-2-ynyl)morpholine;5-methyl-2-phenylhex-3-yn-2-ol is sourced from PubChem (CID 159356923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).