2-bromo-1-methyl-4-propan-2-ylbenzene;4-chloro-3-propan-2-ylbenzonitrile;1,3-dimethoxy-2-methyl-5-propan-2-ylbenzene;(3Z)-3,4-dimethylhexa-1,3,5-triene;ethane;1-fluoro-3-propan-2-ylbenzene;methane;2-methylbutane;3-(3-methylbutyl)-1H-indene;1-methyl-2-propan-2-ylbenzene;tris(1-methyl-4-propan-2-ylbenzene);(2-methyl-5-propan-2-ylphenyl) acetate;2-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;phenyl-(4-propan-2-ylphenyl)methanone;1-phenyl-4-propan-2-yltriazole;3-(4-propan-2-ylphenyl)-1,2-oxazole;1-(2-propan-2-ylphenyl)piperazine;1-(4-propan-2-ylphenyl)piperazine;bis(1-(4-propan-2-ylphenyl)piperidine);prop-1-ene

C246H368BrClFN13O6 — CID 159906531

IUPAC2-bromo-1-methyl-4-propan-2-ylbenzene;4-chloro-3-propan-2-ylbenzonitrile;1,3-dimethoxy-2-methyl-5-propan-2-ylbenzene;(3Z)-3,4-dimethylhexa-1,3,5-triene;ethane;1-fluoro-3-propan-2-ylbenzene;methane;2-methylbutane;3-(3-methylbutyl)-1H-indene;1-methyl-2-propan-2-ylbenzene;tris(1-methyl-4-propan-2-ylbenzene);(2-methyl-5-propan-2-ylphenyl) acetate;2-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;phenyl-(4-propan-2-ylphenyl)methanone;1-phenyl-4-propan-2-yltriazole;3-(4-propan-2-ylphenyl)-1,2-oxazole;1-(2-propan-2-ylphenyl)piperazine;1-(4-propan-2-ylphenyl)piperazine;bis(1-(4-propan-2-ylphenyl)piperidine);prop-1-ene
SMILESC.C.C.C.C.C.C.C.C.C.C=C/C(C)=C(/C)C=C.C=CC.CC.CC(=O)Oc1cc(C(C)C)ccc1C.CC(C)CCC1=CCc2ccccc21.CC(C)Cc1ccccn1.CC(C)Cc1ccncc1.CC(C)c1cc(C#N)ccc1Cl.CC(C)c1ccc(-c2ccon2)cc1.CC(C)c1ccc(C(=O)c2ccccc2)cc1.CC(C)c1ccc(N2CCCCC2)cc1.CC(C)c1ccc(N2CCCCC2)cc1.CC(C)c1ccc(N2CCNCC2)cc1.CC(C)c1cccc(F)c1.CC(C)c1ccccc1N1CCNCC1.CC(C)c1cn(-c2ccccc2)nn1.CCC(C)C.COc1cc(C(C)C)cc(OC)c1C.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1Br.Cc1ccccc1C(C)C
InChIInChI=1S/C16H16O.2C14H21N.C14H18.2C13H20N2.C12H13NO.C12H18O2.C12H16O2.C11H13N3.C10H13Br.C10H10ClN.4C10H14.C9H11F.2C9H13N.C8H12.C5H12.C3H6.C2H6.10CH4/c1-12(2)13-8-10-15(11-9-13)16(17)14-6-4-3-5-7-14;2*1-12(2)13-6-8-14(9-7-13)15-10-4-3-5-11-15;1-11(2)7-8-13-10-9-12-5-3-4-6-14(12)13;1-11(2)12-3-5-13(6-4-12)15-9-7-14-8-10-15;1-11(2)12-5-3-4-6-13(12)15-9-7-14-8-10-15;1-9(2)10-3-5-11(6-4-10)12-7-8-14-13-12;1-8(2)10-6-11(13-4)9(3)12(7-10)14-5;1-8(2)11-6-5-9(3)12(7-11)14-10(4)13;1-9(2)11-8-14(13-12-11)10-6-4-3-5-7-10;1-7(2)9-5-4-8(3)10(11)6-9;1-7(2)9-5-8(6-12)3-4-10(9)11;3*1-8(2)10-6-4-9(3)5-7-10;1-8(2)10-7-5-4-6-9(10)3;1-7(2)8-4-3-5-9(10)6-8;1-8(2)7-9-3-5-10-6-4-9;1-8(2)7-9-5-3-4-6-10-9;1-5-7(3)8(4)6-2;1-4-5(2)3;1-3-2;1-2;;;;;;;;;;/h3-12H,1-2H3;2*6-9,12H,3-5,10-11H2,1-2H3;3-6,10-11H,7-9H2,1-2H3;2*3-6,11,14H,7-10H2,1-2H3;3-9H,1-2H3;6-8H,1-5H3;5-8H,1-4H3;3-9H,1-2H3;4-7H,1-3H3;3-5,7H,1-2H3;4*4-8H,1-3H3;3-7H,1-2H3;2*3-6,8H,7H2,1-2H3;5-6H,1-2H2,3-4H3;5H,4H2,1-3H3;3H,1H2,2H3;1-2H3;10*1H4/b;;;;;;;;;;;;;;;;;;;8-7-;;;;;;;;;;;;;
InChIKeyNWQKVDWVMQEFIH-MQUXYZEGSA-N
MW3738.09 g/mol
LogP72.70
Rot. Bonds37

About 2-bromo-1-methyl-4-propan-2-ylbenzene;4-chloro-3-propan-2-ylbenzonitrile;1,3-dimethoxy-2-methyl-5-propan-2-ylbenzene;(3Z)-3,4-dimethylhexa-1,3,5-triene;ethane;1-fluoro-3-propan-2-ylbenzene;methane;2-methylbutane;3-(3-methylbutyl)-1H-indene;1-methyl-2-propan-2-ylbenzene;tris(1-methyl-4-propan-2-ylbenzene);(2-methyl-5-propan-2-ylphenyl) acetate;2-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;phenyl-(4-propan-2-ylphenyl)methanone;1-phenyl-4-propan-2-yltriazole;3-(4-propan-2-ylphenyl)-1,2-oxazole;1-(2-propan-2-ylphenyl)piperazine;1-(4-propan-2-ylphenyl)piperazine;bis(1-(4-propan-2-ylphenyl)piperidine);prop-1-ene

2-bromo-1-methyl-4-propan-2-ylbenzene;4-chloro-3-propan-2-ylbenzonitrile;1,3-dimethoxy-2-methyl-5-propan-2-ylbenzene;(3Z)-3,4-dimethylhexa-1,3,5-triene;ethane;1-fluoro-3-propan-2-ylbenzene;methane;2-methylbutane;3-(3-methylbutyl)-1H-indene;1-methyl-2-propan-2-ylbenzene;tris(1-methyl-4-propan-2-ylbenzene);(2-methyl-5-propan-2-ylphenyl) acetate;2-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;phenyl-(4-propan-2-ylphenyl)methanone;1-phenyl-4-propan-2-yltriazole;3-(4-propan-2-ylphenyl)-1,2-oxazole;1-(2-propan-2-ylphenyl)piperazine;1-(4-propan-2-ylphenyl)piperazine;bis(1-(4-propan-2-ylphenyl)piperidine);prop-1-ene (PubChem CID 159906531) has the molecular formula C246H368BrClFN13O6 and a molecular weight of 3738.09 g/mol. Its IUPAC name is 2-bromo-1-methyl-4-propan-2-ylbenzene;4-chloro-3-propan-2-ylbenzonitrile;1,3-dimethoxy-2-methyl-5-propan-2-ylbenzene;(3Z)-3,4-dimethylhexa-1,3,5-triene;ethane;1-fluoro-3-propan-2-ylbenzene;methane;2-methylbutane;3-(3-methylbutyl)-1H-indene;1-methyl-2-propan-2-ylbenzene;tris(1-methyl-4-propan-2-ylbenzene);(2-methyl-5-propan-2-ylphenyl) acetate;2-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;phenyl-(4-propan-2-ylphenyl)methanone;1-phenyl-4-propan-2-yltriazole;3-(4-propan-2-ylphenyl)-1,2-oxazole;1-(2-propan-2-ylphenyl)piperazine;1-(4-propan-2-ylphenyl)piperazine;bis(1-(4-propan-2-ylphenyl)piperidine);prop-1-ene.

Molecular Properties

Compound Name2-bromo-1-methyl-4-propan-2-ylbenzene;4-chloro-3-propan-2-ylbenzonitrile;1,3-dimethoxy-2-methyl-5-propan-2-ylbenzene;(3Z)-3,4-dimethylhexa-1,3,5-triene;ethane;1-fluoro-3-propan-2-ylbenzene;methane;2-methylbutane;3-(3-methylbutyl)-1H-indene;1-methyl-2-propan-2-ylbenzene;tris(1-methyl-4-propan-2-ylbenzene);(2-methyl-5-propan-2-ylphenyl) acetate;2-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;phenyl-(4-propan-2-ylphenyl)methanone;1-phenyl-4-propan-2-yltriazole;3-(4-propan-2-ylphenyl)-1,2-oxazole;1-(2-propan-2-ylphenyl)piperazine;1-(4-propan-2-ylphenyl)piperazine;bis(1-(4-propan-2-ylphenyl)piperidine);prop-1-ene
PubChem CID159906531
Molecular FormulaC246H368BrClFN13O6
Molecular Weight3738.09 g/mol
Exact Mass3733.77
IUPAC Name2-bromo-1-methyl-4-propan-2-ylbenzene;4-chloro-3-propan-2-ylbenzonitrile;1,3-dimethoxy-2-methyl-5-propan-2-ylbenzene;(3Z)-3,4-dimethylhexa-1,3,5-triene;ethane;1-fluoro-3-propan-2-ylbenzene;methane;2-methylbutane;3-(3-methylbutyl)-1H-indene;1-methyl-2-propan-2-ylbenzene;tris(1-methyl-4-propan-2-ylbenzene);(2-methyl-5-propan-2-ylphenyl) acetate;2-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;phenyl-(4-propan-2-ylphenyl)methanone;1-phenyl-4-propan-2-yltriazole;3-(4-propan-2-ylphenyl)-1,2-oxazole;1-(2-propan-2-ylphenyl)piperazine;1-(4-propan-2-ylphenyl)piperazine;bis(1-(4-propan-2-ylphenyl)piperidine);prop-1-ene
SMILESC.C.C.C.C.C.C.C.C.C.C=C/C(C)=C(/C)C=C.C=CC.CC.CC(=O)Oc1cc(C(C)C)ccc1C.CC(C)CCC1=CCc2ccccc21.CC(C)Cc1ccccn1.CC(C)Cc1ccncc1.CC(C)c1cc(C#N)ccc1Cl.CC(C)c1ccc(-c2ccon2)cc1.CC(C)c1ccc(C(=O)c2ccccc2)cc1.CC(C)c1ccc(N2CCCCC2)cc1.CC(C)c1ccc(N2CCCCC2)cc1.CC(C)c1ccc(N2CCNCC2)cc1.CC(C)c1cccc(F)c1.CC(C)c1ccccc1N1CCNCC1.CC(C)c1cn(-c2ccccc2)nn1.CCC(C)C.COc1cc(C(C)C)cc(OC)c1C.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1Br.Cc1ccccc1C(C)C
InChIInChI=1S/C16H16O.2C14H21N.C14H18.2C13H20N2.C12H13NO.C12H18O2.C12H16O2.C11H13N3.C10H13Br.C10H10ClN.4C10H14.C9H11F.2C9H13N.C8H12.C5H12.C3H6.C2H6.10CH4/c1-12(2)13-8-10-15(11-9-13)16(17)14-6-4-3-5-7-14;2*1-12(2)13-6-8-14(9-7-13)15-10-4-3-5-11-15;1-11(2)7-8-13-10-9-12-5-3-4-6-14(12)13;1-11(2)12-3-5-13(6-4-12)15-9-7-14-8-10-15;1-11(2)12-5-3-4-6-13(12)15-9-7-14-8-10-15;1-9(2)10-3-5-11(6-4-10)12-7-8-14-13-12;1-8(2)10-6-11(13-4)9(3)12(7-10)14-5;1-8(2)11-6-5-9(3)12(7-11)14-10(4)13;1-9(2)11-8-14(13-12-11)10-6-4-3-5-7-10;1-7(2)9-5-4-8(3)10(11)6-9;1-7(2)9-5-8(6-12)3-4-10(9)11;3*1-8(2)10-6-4-9(3)5-7-10;1-8(2)10-7-5-4-6-9(10)3;1-7(2)8-4-3-5-9(10)6-8;1-8(2)7-9-3-5-10-6-4-9;1-8(2)7-9-5-3-4-6-10-9;1-5-7(3)8(4)6-2;1-4-5(2)3;1-3-2;1-2;;;;;;;;;;/h3-12H,1-2H3;2*6-9,12H,3-5,10-11H2,1-2H3;3-6,10-11H,7-9H2,1-2H3;2*3-6,11,14H,7-10H2,1-2H3;3-9H,1-2H3;6-8H,1-5H3;5-8H,1-4H3;3-9H,1-2H3;4-7H,1-3H3;3-5,7H,1-2H3;4*4-8H,1-3H3;3-7H,1-2H3;2*3-6,8H,7H2,1-2H3;5-6H,1-2H2,3-4H3;5H,4H2,1-3H3;3H,1H2,2H3;1-2H3;10*1H4/b;;;;;;;;;;;;;;;;;;;8-7-;;;;;;;;;;;;;
InChIKeyNWQKVDWVMQEFIH-MQUXYZEGSA-N
XLogP72.70
TPSA205.16 Ų
H-Bond Donors2
H-Bond Acceptors19
Rotatable Bonds37
Heavy Atoms268
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003738.09
LogP ≤ 572.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 2-bromo-1-methyl-4-propan-2-ylbenzene;4-chloro-3-propan-2-ylbenzonitrile;1,3-dimethoxy-2-methyl-5-propan-2-ylbenzene;(3Z)-3,4-dimethylhexa-1,3,5-triene;ethane;1-fluoro-3-propan-2-ylbenzene;methane;2-methylbutane;3-(3-methylbutyl)-1H-indene;1-methyl-2-propan-2-ylbenzene;tris(1-methyl-4-propan-2-ylbenzene);(2-methyl-5-propan-2-ylphenyl) acetate;2-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;phenyl-(4-propan-2-ylphenyl)methanone;1-phenyl-4-propan-2-yltriazole;3-(4-propan-2-ylphenyl)-1,2-oxazole;1-(2-propan-2-ylphenyl)piperazine;1-(4-propan-2-ylphenyl)piperazine;bis(1-(4-propan-2-ylphenyl)piperidine);prop-1-ene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-methyl-4-propan-2-ylbenzene;4-chloro-3-propan-2-ylbenzonitrile;1,3-dimethoxy-2-methyl-5-propan-2-ylbenzene;(3Z)-3,4-dimethylhexa-1,3,5-triene;ethane;1-fluoro-3-propan-2-ylbenzene;methane;2-methylbutane;3-(3-methylbutyl)-1H-indene;1-methyl-2-propan-2-ylbenzene;tris(1-methyl-4-propan-2-ylbenzene);(2-methyl-5-propan-2-ylphenyl) acetate;2-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;phenyl-(4-propan-2-ylphenyl)methanone;1-phenyl-4-propan-2-yltriazole;3-(4-propan-2-ylphenyl)-1,2-oxazole;1-(2-propan-2-ylphenyl)piperazine;1-(4-propan-2-ylphenyl)piperazine;bis(1-(4-propan-2-ylphenyl)piperidine);prop-1-ene?
The IUPAC name of 2-bromo-1-methyl-4-propan-2-ylbenzene;4-chloro-3-propan-2-ylbenzonitrile;1,3-dimethoxy-2-methyl-5-propan-2-ylbenzene;(3Z)-3,4-dimethylhexa-1,3,5-triene;ethane;1-fluoro-3-propan-2-ylbenzene;methane;2-methylbutane;3-(3-methylbutyl)-1H-indene;1-methyl-2-propan-2-ylbenzene;tris(1-methyl-4-propan-2-ylbenzene);(2-methyl-5-propan-2-ylphenyl) acetate;2-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;phenyl-(4-propan-2-ylphenyl)methanone;1-phenyl-4-propan-2-yltriazole;3-(4-propan-2-ylphenyl)-1,2-oxazole;1-(2-propan-2-ylphenyl)piperazine;1-(4-propan-2-ylphenyl)piperazine;bis(1-(4-propan-2-ylphenyl)piperidine);prop-1-ene (CID 159906531) is 2-bromo-1-methyl-4-propan-2-ylbenzene;4-chloro-3-propan-2-ylbenzonitrile;1,3-dimethoxy-2-methyl-5-propan-2-ylbenzene;(3Z)-3,4-dimethylhexa-1,3,5-triene;ethane;1-fluoro-3-propan-2-ylbenzene;methane;2-methylbutane;3-(3-methylbutyl)-1H-indene;1-methyl-2-propan-2-ylbenzene;tris(1-methyl-4-propan-2-ylbenzene);(2-methyl-5-propan-2-ylphenyl) acetate;2-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;phenyl-(4-propan-2-ylphenyl)methanone;1-phenyl-4-propan-2-yltriazole;3-(4-propan-2-ylphenyl)-1,2-oxazole;1-(2-propan-2-ylphenyl)piperazine;1-(4-propan-2-ylphenyl)piperazine;bis(1-(4-propan-2-ylphenyl)piperidine);prop-1-ene.
What is the SMILES notation for 2-bromo-1-methyl-4-propan-2-ylbenzene;4-chloro-3-propan-2-ylbenzonitrile;1,3-dimethoxy-2-methyl-5-propan-2-ylbenzene;(3Z)-3,4-dimethylhexa-1,3,5-triene;ethane;1-fluoro-3-propan-2-ylbenzene;methane;2-methylbutane;3-(3-methylbutyl)-1H-indene;1-methyl-2-propan-2-ylbenzene;tris(1-methyl-4-propan-2-ylbenzene);(2-methyl-5-propan-2-ylphenyl) acetate;2-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;phenyl-(4-propan-2-ylphenyl)methanone;1-phenyl-4-propan-2-yltriazole;3-(4-propan-2-ylphenyl)-1,2-oxazole;1-(2-propan-2-ylphenyl)piperazine;1-(4-propan-2-ylphenyl)piperazine;bis(1-(4-propan-2-ylphenyl)piperidine);prop-1-ene?
The canonical SMILES for 2-bromo-1-methyl-4-propan-2-ylbenzene;4-chloro-3-propan-2-ylbenzonitrile;1,3-dimethoxy-2-methyl-5-propan-2-ylbenzene;(3Z)-3,4-dimethylhexa-1,3,5-triene;ethane;1-fluoro-3-propan-2-ylbenzene;methane;2-methylbutane;3-(3-methylbutyl)-1H-indene;1-methyl-2-propan-2-ylbenzene;tris(1-methyl-4-propan-2-ylbenzene);(2-methyl-5-propan-2-ylphenyl) acetate;2-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;phenyl-(4-propan-2-ylphenyl)methanone;1-phenyl-4-propan-2-yltriazole;3-(4-propan-2-ylphenyl)-1,2-oxazole;1-(2-propan-2-ylphenyl)piperazine;1-(4-propan-2-ylphenyl)piperazine;bis(1-(4-propan-2-ylphenyl)piperidine);prop-1-ene is C.C.C.C.C.C.C.C.C.C.C=C/C(C)=C(/C)C=C.C=CC.CC.CC(=O)Oc1cc(C(C)C)ccc1C.CC(C)CCC1=CCc2ccccc21.CC(C)Cc1ccccn1.CC(C)Cc1ccncc1.CC(C)c1cc(C#N)ccc1Cl.CC(C)c1ccc(-c2ccon2)cc1.CC(C)c1ccc(C(=O)c2ccccc2)cc1.CC(C)c1ccc(N2CCCCC2)cc1.CC(C)c1ccc(N2CCCCC2)cc1.CC(C)c1ccc(N2CCNCC2)cc1.CC(C)c1cccc(F)c1.CC(C)c1ccccc1N1CCNCC1.CC(C)c1cn(-c2ccccc2)nn1.CCC(C)C.COc1cc(C(C)C)cc(OC)c1C.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1Br.Cc1ccccc1C(C)C.
What is the InChIKey of 2-bromo-1-methyl-4-propan-2-ylbenzene;4-chloro-3-propan-2-ylbenzonitrile;1,3-dimethoxy-2-methyl-5-propan-2-ylbenzene;(3Z)-3,4-dimethylhexa-1,3,5-triene;ethane;1-fluoro-3-propan-2-ylbenzene;methane;2-methylbutane;3-(3-methylbutyl)-1H-indene;1-methyl-2-propan-2-ylbenzene;tris(1-methyl-4-propan-2-ylbenzene);(2-methyl-5-propan-2-ylphenyl) acetate;2-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;phenyl-(4-propan-2-ylphenyl)methanone;1-phenyl-4-propan-2-yltriazole;3-(4-propan-2-ylphenyl)-1,2-oxazole;1-(2-propan-2-ylphenyl)piperazine;1-(4-propan-2-ylphenyl)piperazine;bis(1-(4-propan-2-ylphenyl)piperidine);prop-1-ene?
The InChIKey is NWQKVDWVMQEFIH-MQUXYZEGSA-N. The full InChI is InChI=1S/C16H16O.2C14H21N.C14H18.2C13H20N2.C12H13NO.C12H18O2.C12H16O2.C11H13N3.C10H13Br.C10H10ClN.4C10H14.C9H11F.2C9H13N.C8H12.C5H12.C3H6.C2H6.10CH4/c1-12(2)13-8-10-15(11-9-13)16(17)14-6-4-3-5-7-14;2*1-12(2)13-6-8-14(9-7-13)15-10-4-3-5-11-15;1-11(2)7-8-13-10-9-12-5-3-4-6-14(12)13;1-11(2)12-3-5-13(6-4-12)15-9-7-14-8-10-15;1-11(2)12-5-3-4-6-13(12)15-9-7-14-8-10-15;1-9(2)10-3-5-11(6-4-10)12-7-8-14-13-12;1-8(2)10-6-11(13-4)9(3)12(7-10)14-5;1-8(2)11-6-5-9(3)12(7-11)14-10(4)13;1-9(2)11-8-14(13-12-11)10-6-4-3-5-7-10;1-7(2)9-5-4-8(3)10(11)6-9;1-7(2)9-5-8(6-12)3-4-10(9)11;3*1-8(2)10-6-4-9(3)5-7-10;1-8(2)10-7-5-4-6-9(10)3;1-7(2)8-4-3-5-9(10)6-8;1-8(2)7-9-3-5-10-6-4-9;1-8(2)7-9-5-3-4-6-10-9;1-5-7(3)8(4)6-2;1-4-5(2)3;1-3-2;1-2;;;;;;;;;;/h3-12H,1-2H3;2*6-9,12H,3-5,10-11H2,1-2H3;3-6,10-11H,7-9H2,1-2H3;2*3-6,11,14H,7-10H2,1-2H3;3-9H,1-2H3;6-8H,1-5H3;5-8H,1-4H3;3-9H,1-2H3;4-7H,1-3H3;3-5,7H,1-2H3;4*4-8H,1-3H3;3-7H,1-2H3;2*3-6,8H,7H2,1-2H3;5-6H,1-2H2,3-4H3;5H,4H2,1-3H3;3H,1H2,2H3;1-2H3;10*1H4/b;;;;;;;;;;;;;;;;;;;8-7-;;;;;;;;;;;;;.
What are the key properties of 2-bromo-1-methyl-4-propan-2-ylbenzene;4-chloro-3-propan-2-ylbenzonitrile;1,3-dimethoxy-2-methyl-5-propan-2-ylbenzene;(3Z)-3,4-dimethylhexa-1,3,5-triene;ethane;1-fluoro-3-propan-2-ylbenzene;methane;2-methylbutane;3-(3-methylbutyl)-1H-indene;1-methyl-2-propan-2-ylbenzene;tris(1-methyl-4-propan-2-ylbenzene);(2-methyl-5-propan-2-ylphenyl) acetate;2-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;phenyl-(4-propan-2-ylphenyl)methanone;1-phenyl-4-propan-2-yltriazole;3-(4-propan-2-ylphenyl)-1,2-oxazole;1-(2-propan-2-ylphenyl)piperazine;1-(4-propan-2-ylphenyl)piperazine;bis(1-(4-propan-2-ylphenyl)piperidine);prop-1-ene?
2-bromo-1-methyl-4-propan-2-ylbenzene;4-chloro-3-propan-2-ylbenzonitrile;1,3-dimethoxy-2-methyl-5-propan-2-ylbenzene;(3Z)-3,4-dimethylhexa-1,3,5-triene;ethane;1-fluoro-3-propan-2-ylbenzene;methane;2-methylbutane;3-(3-methylbutyl)-1H-indene;1-methyl-2-propan-2-ylbenzene;tris(1-methyl-4-propan-2-ylbenzene);(2-methyl-5-propan-2-ylphenyl) acetate;2-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;phenyl-(4-propan-2-ylphenyl)methanone;1-phenyl-4-propan-2-yltriazole;3-(4-propan-2-ylphenyl)-1,2-oxazole;1-(2-propan-2-ylphenyl)piperazine;1-(4-propan-2-ylphenyl)piperazine;bis(1-(4-propan-2-ylphenyl)piperidine);prop-1-ene has a molecular weight of 3738.09 g/mol, XLogP of 72.70, 37 rotatable bonds, 2 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-methyl-4-propan-2-ylbenzene;4-chloro-3-propan-2-ylbenzonitrile;1,3-dimethoxy-2-methyl-5-propan-2-ylbenzene;(3Z)-3,4-dimethylhexa-1,3,5-triene;ethane;1-fluoro-3-propan-2-ylbenzene;methane;2-methylbutane;3-(3-methylbutyl)-1H-indene;1-methyl-2-propan-2-ylbenzene;tris(1-methyl-4-propan-2-ylbenzene);(2-methyl-5-propan-2-ylphenyl) acetate;2-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;phenyl-(4-propan-2-ylphenyl)methanone;1-phenyl-4-propan-2-yltriazole;3-(4-propan-2-ylphenyl)-1,2-oxazole;1-(2-propan-2-ylphenyl)piperazine;1-(4-propan-2-ylphenyl)piperazine;bis(1-(4-propan-2-ylphenyl)piperidine);prop-1-ene is sourced from PubChem (CID 159906531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).