cumene;1-methoxy-3-(2-methylpropyl)benzene;tris(1-methoxy-4-(2-methylpropyl)benzene);bis(3-methylbutan-2-ylbenzene);2-(3-methylbutan-2-yl)pyridine;3-methylbutoxybenzene;2-(3-methylbutyl)pyridine;1-methyl-4-(2-methylpropyl)benzene;2-methylpropylbenzene;2-methylpropylcyclopropane;1-(2-methylpropyl)-4-methylsulfonylbenzene;2-(2-methylpropyl)oxolane;2-(2-methylpropyl)pyridine;4-(2-methylpropyl)-2-pyridin-3-yl-1,3-thiazole;5-(2-methylpropyl)pyrrolidin-2-one;2-(2-methylpropyl)-1,3-thiazole

C189H283N7O9S3 — CID 158941244

IUPACcumene;1-methoxy-3-(2-methylpropyl)benzene;tris(1-methoxy-4-(2-methylpropyl)benzene);bis(3-methylbutan-2-ylbenzene);2-(3-methylbutan-2-yl)pyridine;3-methylbutoxybenzene;2-(3-methylbutyl)pyridine;1-methyl-4-(2-methylpropyl)benzene;2-methylpropylbenzene;2-methylpropylcyclopropane;1-(2-methylpropyl)-4-methylsulfonylbenzene;2-(2-methylpropyl)oxolane;2-(2-methylpropyl)pyridine;4-(2-methylpropyl)-2-pyridin-3-yl-1,3-thiazole;5-(2-methylpropyl)pyrrolidin-2-one;2-(2-methylpropyl)-1,3-thiazole
SMILESCC(C)C(C)c1ccccc1.CC(C)C(C)c1ccccc1.CC(C)C(C)c1ccccn1.CC(C)CC1CC1.CC(C)CC1CCC(=O)N1.CC(C)CC1CCCO1.CC(C)CCOc1ccccc1.CC(C)CCc1ccccn1.CC(C)Cc1ccc(S(C)(=O)=O)cc1.CC(C)Cc1ccccc1.CC(C)Cc1ccccn1.CC(C)Cc1csc(-c2cccnc2)n1.CC(C)Cc1nccs1.CC(C)c1ccccc1.COc1ccc(CC(C)C)cc1.COc1ccc(CC(C)C)cc1.COc1ccc(CC(C)C)cc1.COc1cccc(CC(C)C)c1.Cc1ccc(CC(C)C)cc1
InChIInChI=1S/C12H14N2S.C11H16O2S.5C11H16O.3C11H16.2C10H15N.C10H14.C9H13N.C9H12.C8H15NO.C8H16O.C7H11NS.C7H14/c1-9(2)6-11-8-15-12(14-11)10-4-3-5-13-7-10;1-9(2)8-10-4-6-11(7-5-10)14(3,12)13;3*1-9(2)8-10-4-6-11(12-3)7-5-10;1-9(2)7-10-5-4-6-11(8-10)12-3;1-10(2)8-9-12-11-6-4-3-5-7-11;1-9(2)8-11-6-4-10(3)5-7-11;2*1-9(2)10(3)11-7-5-4-6-8-11;1-8(2)9(3)10-6-4-5-7-11-10;1-9(2)6-7-10-5-3-4-8-11-10;1-9(2)8-10-6-4-3-5-7-10;1-8(2)7-9-5-3-4-6-10-9;1-8(2)9-6-4-3-5-7-9;1-6(2)5-7-3-4-8(10)9-7;1-7(2)6-8-4-3-5-9-8;1-6(2)5-7-8-3-4-9-7;1-6(2)5-7-3-4-7/h3-5,7-9H,6H2,1-2H3;4-7,9H,8H2,1-3H3;3*4-7,9H,8H2,1-3H3;4-6,8-9H,7H2,1-3H3;3-7,10H,8-9H2,1-2H3;4-7,9H,8H2,1-3H3;2*4-10H,1-3H3;4-9H,1-3H3;3-5,8-9H,6-7H2,1-2H3;3-7,9H,8H2,1-2H3;3-6,8H,7H2,1-2H3;3-8H,1-2H3;6-7H,3-5H2,1-2H3,(H,9,10);7-8H,3-6H2,1-2H3;3-4,6H,5H2,1-2H3;6-7H,3-5H2,1-2H3
InChIKeyJKGUYCHHUGSRBH-UHFFFAOYSA-N
MW2893.58 g/mol
LogP52.26
Rot. Bonds46

About cumene;1-methoxy-3-(2-methylpropyl)benzene;tris(1-methoxy-4-(2-methylpropyl)benzene);bis(3-methylbutan-2-ylbenzene);2-(3-methylbutan-2-yl)pyridine;3-methylbutoxybenzene;2-(3-methylbutyl)pyridine;1-methyl-4-(2-methylpropyl)benzene;2-methylpropylbenzene;2-methylpropylcyclopropane;1-(2-methylpropyl)-4-methylsulfonylbenzene;2-(2-methylpropyl)oxolane;2-(2-methylpropyl)pyridine;4-(2-methylpropyl)-2-pyridin-3-yl-1,3-thiazole;5-(2-methylpropyl)pyrrolidin-2-one;2-(2-methylpropyl)-1,3-thiazole

cumene;1-methoxy-3-(2-methylpropyl)benzene;tris(1-methoxy-4-(2-methylpropyl)benzene);bis(3-methylbutan-2-ylbenzene);2-(3-methylbutan-2-yl)pyridine;3-methylbutoxybenzene;2-(3-methylbutyl)pyridine;1-methyl-4-(2-methylpropyl)benzene;2-methylpropylbenzene;2-methylpropylcyclopropane;1-(2-methylpropyl)-4-methylsulfonylbenzene;2-(2-methylpropyl)oxolane;2-(2-methylpropyl)pyridine;4-(2-methylpropyl)-2-pyridin-3-yl-1,3-thiazole;5-(2-methylpropyl)pyrrolidin-2-one;2-(2-methylpropyl)-1,3-thiazole (PubChem CID 158941244) has the molecular formula C189H283N7O9S3 and a molecular weight of 2893.58 g/mol. Its IUPAC name is cumene;1-methoxy-3-(2-methylpropyl)benzene;tris(1-methoxy-4-(2-methylpropyl)benzene);bis(3-methylbutan-2-ylbenzene);2-(3-methylbutan-2-yl)pyridine;3-methylbutoxybenzene;2-(3-methylbutyl)pyridine;1-methyl-4-(2-methylpropyl)benzene;2-methylpropylbenzene;2-methylpropylcyclopropane;1-(2-methylpropyl)-4-methylsulfonylbenzene;2-(2-methylpropyl)oxolane;2-(2-methylpropyl)pyridine;4-(2-methylpropyl)-2-pyridin-3-yl-1,3-thiazole;5-(2-methylpropyl)pyrrolidin-2-one;2-(2-methylpropyl)-1,3-thiazole.

Molecular Properties

Compound Namecumene;1-methoxy-3-(2-methylpropyl)benzene;tris(1-methoxy-4-(2-methylpropyl)benzene);bis(3-methylbutan-2-ylbenzene);2-(3-methylbutan-2-yl)pyridine;3-methylbutoxybenzene;2-(3-methylbutyl)pyridine;1-methyl-4-(2-methylpropyl)benzene;2-methylpropylbenzene;2-methylpropylcyclopropane;1-(2-methylpropyl)-4-methylsulfonylbenzene;2-(2-methylpropyl)oxolane;2-(2-methylpropyl)pyridine;4-(2-methylpropyl)-2-pyridin-3-yl-1,3-thiazole;5-(2-methylpropyl)pyrrolidin-2-one;2-(2-methylpropyl)-1,3-thiazole
PubChem CID158941244
Molecular FormulaC189H283N7O9S3
Molecular Weight2893.58 g/mol
Exact Mass2891.11
IUPAC Namecumene;1-methoxy-3-(2-methylpropyl)benzene;tris(1-methoxy-4-(2-methylpropyl)benzene);bis(3-methylbutan-2-ylbenzene);2-(3-methylbutan-2-yl)pyridine;3-methylbutoxybenzene;2-(3-methylbutyl)pyridine;1-methyl-4-(2-methylpropyl)benzene;2-methylpropylbenzene;2-methylpropylcyclopropane;1-(2-methylpropyl)-4-methylsulfonylbenzene;2-(2-methylpropyl)oxolane;2-(2-methylpropyl)pyridine;4-(2-methylpropyl)-2-pyridin-3-yl-1,3-thiazole;5-(2-methylpropyl)pyrrolidin-2-one;2-(2-methylpropyl)-1,3-thiazole
SMILESCC(C)C(C)c1ccccc1.CC(C)C(C)c1ccccc1.CC(C)C(C)c1ccccn1.CC(C)CC1CC1.CC(C)CC1CCC(=O)N1.CC(C)CC1CCCO1.CC(C)CCOc1ccccc1.CC(C)CCc1ccccn1.CC(C)Cc1ccc(S(C)(=O)=O)cc1.CC(C)Cc1ccccc1.CC(C)Cc1ccccn1.CC(C)Cc1csc(-c2cccnc2)n1.CC(C)Cc1nccs1.CC(C)c1ccccc1.COc1ccc(CC(C)C)cc1.COc1ccc(CC(C)C)cc1.COc1ccc(CC(C)C)cc1.COc1cccc(CC(C)C)c1.Cc1ccc(CC(C)C)cc1
InChIInChI=1S/C12H14N2S.C11H16O2S.5C11H16O.3C11H16.2C10H15N.C10H14.C9H13N.C9H12.C8H15NO.C8H16O.C7H11NS.C7H14/c1-9(2)6-11-8-15-12(14-11)10-4-3-5-13-7-10;1-9(2)8-10-4-6-11(7-5-10)14(3,12)13;3*1-9(2)8-10-4-6-11(12-3)7-5-10;1-9(2)7-10-5-4-6-11(8-10)12-3;1-10(2)8-9-12-11-6-4-3-5-7-11;1-9(2)8-11-6-4-10(3)5-7-11;2*1-9(2)10(3)11-7-5-4-6-8-11;1-8(2)9(3)10-6-4-5-7-11-10;1-9(2)6-7-10-5-3-4-8-11-10;1-9(2)8-10-6-4-3-5-7-10;1-8(2)7-9-5-3-4-6-10-9;1-8(2)9-6-4-3-5-7-9;1-6(2)5-7-3-4-8(10)9-7;1-7(2)6-8-4-3-5-9-8;1-6(2)5-7-8-3-4-9-7;1-6(2)5-7-3-4-7/h3-5,7-9H,6H2,1-2H3;4-7,9H,8H2,1-3H3;3*4-7,9H,8H2,1-3H3;4-6,8-9H,7H2,1-3H3;3-7,10H,8-9H2,1-2H3;4-7,9H,8H2,1-3H3;2*4-10H,1-3H3;4-9H,1-3H3;3-5,8-9H,6-7H2,1-2H3;3-7,9H,8H2,1-2H3;3-6,8H,7H2,1-2H3;3-8H,1-2H3;6-7H,3-5H2,1-2H3,(H,9,10);7-8H,3-6H2,1-2H3;3-4,6H,5H2,1-2H3;6-7H,3-5H2,1-2H3
InChIKeyJKGUYCHHUGSRBH-UHFFFAOYSA-N
XLogP52.26
TPSA195.96 Ų
H-Bond Donors1
H-Bond Acceptors17
Rotatable Bonds46
Heavy Atoms208
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002893.58
LogP ≤ 552.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1017

Analyze cumene;1-methoxy-3-(2-methylpropyl)benzene;tris(1-methoxy-4-(2-methylpropyl)benzene);bis(3-methylbutan-2-ylbenzene);2-(3-methylbutan-2-yl)pyridine;3-methylbutoxybenzene;2-(3-methylbutyl)pyridine;1-methyl-4-(2-methylpropyl)benzene;2-methylpropylbenzene;2-methylpropylcyclopropane;1-(2-methylpropyl)-4-methylsulfonylbenzene;2-(2-methylpropyl)oxolane;2-(2-methylpropyl)pyridine;4-(2-methylpropyl)-2-pyridin-3-yl-1,3-thiazole;5-(2-methylpropyl)pyrrolidin-2-one;2-(2-methylpropyl)-1,3-thiazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of cumene;1-methoxy-3-(2-methylpropyl)benzene;tris(1-methoxy-4-(2-methylpropyl)benzene);bis(3-methylbutan-2-ylbenzene);2-(3-methylbutan-2-yl)pyridine;3-methylbutoxybenzene;2-(3-methylbutyl)pyridine;1-methyl-4-(2-methylpropyl)benzene;2-methylpropylbenzene;2-methylpropylcyclopropane;1-(2-methylpropyl)-4-methylsulfonylbenzene;2-(2-methylpropyl)oxolane;2-(2-methylpropyl)pyridine;4-(2-methylpropyl)-2-pyridin-3-yl-1,3-thiazole;5-(2-methylpropyl)pyrrolidin-2-one;2-(2-methylpropyl)-1,3-thiazole?
The IUPAC name of cumene;1-methoxy-3-(2-methylpropyl)benzene;tris(1-methoxy-4-(2-methylpropyl)benzene);bis(3-methylbutan-2-ylbenzene);2-(3-methylbutan-2-yl)pyridine;3-methylbutoxybenzene;2-(3-methylbutyl)pyridine;1-methyl-4-(2-methylpropyl)benzene;2-methylpropylbenzene;2-methylpropylcyclopropane;1-(2-methylpropyl)-4-methylsulfonylbenzene;2-(2-methylpropyl)oxolane;2-(2-methylpropyl)pyridine;4-(2-methylpropyl)-2-pyridin-3-yl-1,3-thiazole;5-(2-methylpropyl)pyrrolidin-2-one;2-(2-methylpropyl)-1,3-thiazole (CID 158941244) is cumene;1-methoxy-3-(2-methylpropyl)benzene;tris(1-methoxy-4-(2-methylpropyl)benzene);bis(3-methylbutan-2-ylbenzene);2-(3-methylbutan-2-yl)pyridine;3-methylbutoxybenzene;2-(3-methylbutyl)pyridine;1-methyl-4-(2-methylpropyl)benzene;2-methylpropylbenzene;2-methylpropylcyclopropane;1-(2-methylpropyl)-4-methylsulfonylbenzene;2-(2-methylpropyl)oxolane;2-(2-methylpropyl)pyridine;4-(2-methylpropyl)-2-pyridin-3-yl-1,3-thiazole;5-(2-methylpropyl)pyrrolidin-2-one;2-(2-methylpropyl)-1,3-thiazole.
What is the SMILES notation for cumene;1-methoxy-3-(2-methylpropyl)benzene;tris(1-methoxy-4-(2-methylpropyl)benzene);bis(3-methylbutan-2-ylbenzene);2-(3-methylbutan-2-yl)pyridine;3-methylbutoxybenzene;2-(3-methylbutyl)pyridine;1-methyl-4-(2-methylpropyl)benzene;2-methylpropylbenzene;2-methylpropylcyclopropane;1-(2-methylpropyl)-4-methylsulfonylbenzene;2-(2-methylpropyl)oxolane;2-(2-methylpropyl)pyridine;4-(2-methylpropyl)-2-pyridin-3-yl-1,3-thiazole;5-(2-methylpropyl)pyrrolidin-2-one;2-(2-methylpropyl)-1,3-thiazole?
The canonical SMILES for cumene;1-methoxy-3-(2-methylpropyl)benzene;tris(1-methoxy-4-(2-methylpropyl)benzene);bis(3-methylbutan-2-ylbenzene);2-(3-methylbutan-2-yl)pyridine;3-methylbutoxybenzene;2-(3-methylbutyl)pyridine;1-methyl-4-(2-methylpropyl)benzene;2-methylpropylbenzene;2-methylpropylcyclopropane;1-(2-methylpropyl)-4-methylsulfonylbenzene;2-(2-methylpropyl)oxolane;2-(2-methylpropyl)pyridine;4-(2-methylpropyl)-2-pyridin-3-yl-1,3-thiazole;5-(2-methylpropyl)pyrrolidin-2-one;2-(2-methylpropyl)-1,3-thiazole is CC(C)C(C)c1ccccc1.CC(C)C(C)c1ccccc1.CC(C)C(C)c1ccccn1.CC(C)CC1CC1.CC(C)CC1CCC(=O)N1.CC(C)CC1CCCO1.CC(C)CCOc1ccccc1.CC(C)CCc1ccccn1.CC(C)Cc1ccc(S(C)(=O)=O)cc1.CC(C)Cc1ccccc1.CC(C)Cc1ccccn1.CC(C)Cc1csc(-c2cccnc2)n1.CC(C)Cc1nccs1.CC(C)c1ccccc1.COc1ccc(CC(C)C)cc1.COc1ccc(CC(C)C)cc1.COc1ccc(CC(C)C)cc1.COc1cccc(CC(C)C)c1.Cc1ccc(CC(C)C)cc1.
What is the InChIKey of cumene;1-methoxy-3-(2-methylpropyl)benzene;tris(1-methoxy-4-(2-methylpropyl)benzene);bis(3-methylbutan-2-ylbenzene);2-(3-methylbutan-2-yl)pyridine;3-methylbutoxybenzene;2-(3-methylbutyl)pyridine;1-methyl-4-(2-methylpropyl)benzene;2-methylpropylbenzene;2-methylpropylcyclopropane;1-(2-methylpropyl)-4-methylsulfonylbenzene;2-(2-methylpropyl)oxolane;2-(2-methylpropyl)pyridine;4-(2-methylpropyl)-2-pyridin-3-yl-1,3-thiazole;5-(2-methylpropyl)pyrrolidin-2-one;2-(2-methylpropyl)-1,3-thiazole?
The InChIKey is JKGUYCHHUGSRBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2S.C11H16O2S.5C11H16O.3C11H16.2C10H15N.C10H14.C9H13N.C9H12.C8H15NO.C8H16O.C7H11NS.C7H14/c1-9(2)6-11-8-15-12(14-11)10-4-3-5-13-7-10;1-9(2)8-10-4-6-11(7-5-10)14(3,12)13;3*1-9(2)8-10-4-6-11(12-3)7-5-10;1-9(2)7-10-5-4-6-11(8-10)12-3;1-10(2)8-9-12-11-6-4-3-5-7-11;1-9(2)8-11-6-4-10(3)5-7-11;2*1-9(2)10(3)11-7-5-4-6-8-11;1-8(2)9(3)10-6-4-5-7-11-10;1-9(2)6-7-10-5-3-4-8-11-10;1-9(2)8-10-6-4-3-5-7-10;1-8(2)7-9-5-3-4-6-10-9;1-8(2)9-6-4-3-5-7-9;1-6(2)5-7-3-4-8(10)9-7;1-7(2)6-8-4-3-5-9-8;1-6(2)5-7-8-3-4-9-7;1-6(2)5-7-3-4-7/h3-5,7-9H,6H2,1-2H3;4-7,9H,8H2,1-3H3;3*4-7,9H,8H2,1-3H3;4-6,8-9H,7H2,1-3H3;3-7,10H,8-9H2,1-2H3;4-7,9H,8H2,1-3H3;2*4-10H,1-3H3;4-9H,1-3H3;3-5,8-9H,6-7H2,1-2H3;3-7,9H,8H2,1-2H3;3-6,8H,7H2,1-2H3;3-8H,1-2H3;6-7H,3-5H2,1-2H3,(H,9,10);7-8H,3-6H2,1-2H3;3-4,6H,5H2,1-2H3;6-7H,3-5H2,1-2H3.
What are the key properties of cumene;1-methoxy-3-(2-methylpropyl)benzene;tris(1-methoxy-4-(2-methylpropyl)benzene);bis(3-methylbutan-2-ylbenzene);2-(3-methylbutan-2-yl)pyridine;3-methylbutoxybenzene;2-(3-methylbutyl)pyridine;1-methyl-4-(2-methylpropyl)benzene;2-methylpropylbenzene;2-methylpropylcyclopropane;1-(2-methylpropyl)-4-methylsulfonylbenzene;2-(2-methylpropyl)oxolane;2-(2-methylpropyl)pyridine;4-(2-methylpropyl)-2-pyridin-3-yl-1,3-thiazole;5-(2-methylpropyl)pyrrolidin-2-one;2-(2-methylpropyl)-1,3-thiazole?
cumene;1-methoxy-3-(2-methylpropyl)benzene;tris(1-methoxy-4-(2-methylpropyl)benzene);bis(3-methylbutan-2-ylbenzene);2-(3-methylbutan-2-yl)pyridine;3-methylbutoxybenzene;2-(3-methylbutyl)pyridine;1-methyl-4-(2-methylpropyl)benzene;2-methylpropylbenzene;2-methylpropylcyclopropane;1-(2-methylpropyl)-4-methylsulfonylbenzene;2-(2-methylpropyl)oxolane;2-(2-methylpropyl)pyridine;4-(2-methylpropyl)-2-pyridin-3-yl-1,3-thiazole;5-(2-methylpropyl)pyrrolidin-2-one;2-(2-methylpropyl)-1,3-thiazole has a molecular weight of 2893.58 g/mol, XLogP of 52.26, 46 rotatable bonds, 1 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for cumene;1-methoxy-3-(2-methylpropyl)benzene;tris(1-methoxy-4-(2-methylpropyl)benzene);bis(3-methylbutan-2-ylbenzene);2-(3-methylbutan-2-yl)pyridine;3-methylbutoxybenzene;2-(3-methylbutyl)pyridine;1-methyl-4-(2-methylpropyl)benzene;2-methylpropylbenzene;2-methylpropylcyclopropane;1-(2-methylpropyl)-4-methylsulfonylbenzene;2-(2-methylpropyl)oxolane;2-(2-methylpropyl)pyridine;4-(2-methylpropyl)-2-pyridin-3-yl-1,3-thiazole;5-(2-methylpropyl)pyrrolidin-2-one;2-(2-methylpropyl)-1,3-thiazole is sourced from PubChem (CID 158941244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).