bis(1,3-dichloro-5-propan-2-ylbenzene);bis(N,N-dimethyl-3-propan-2-ylbenzamide);3,5-dimethyl-1-(3-propan-2-ylphenyl)pyrazole;2-ethoxy-5-propan-2-ylpyrimidine;3-methoxy-6-propan-2-ylpyridazine;2-methoxy-5-propan-2-ylpyridine;2-methylheptane;N-methyl-5-propan-2-ylpyrimidin-2-amine;3-propan-2-ylbenzonitrile;propan-2-ylcyclopropane;bis(3-propan-2-yldibenzofuran);5-propan-2-yl-2,3-dihydro-1-benzofuran;bis(1-(3-propan-2-ylphenyl)pyrrolidin-2-one);3-propan-2-ylpyridine;3-propan-2-ylquinoline;2-propan-2-ylquinoxaline;2-propan-2-ylthiophene;1,1,1-trifluoro-4-methylpentane

C225H298Cl4F3N19O10S — CID 159755399

About bis(1,3-dichloro-5-propan-2-ylbenzene);bis(N,N-dimethyl-3-propan-2-ylbenzamide);3,5-dimethyl-1-(3-propan-2-ylphenyl)pyrazole;2-ethoxy-5-propan-2-ylpyrimidine;3-methoxy-6-propan-2-ylpyridazine;2-methoxy-5-propan-2-ylpyridine;2-methylheptane;N-methyl-5-propan-2-ylpyrimidin-2-amine;3-propan-2-ylbenzonitrile;propan-2-ylcyclopropane;bis(3-propan-2-yldibenzofuran);5-propan-2-yl-2,3-dihydro-1-benzofuran;bis(1-(3-propan-2-ylphenyl)pyrrolidin-2-one);3-propan-2-ylpyridine;3-propan-2-ylquinoline;2-propan-2-ylquinoxaline;2-propan-2-ylthiophene;1,1,1-trifluoro-4-methylpentane

bis(1,3-dichloro-5-propan-2-ylbenzene);bis(N,N-dimethyl-3-propan-2-ylbenzamide);3,5-dimethyl-1-(3-propan-2-ylphenyl)pyrazole;2-ethoxy-5-propan-2-ylpyrimidine;3-methoxy-6-propan-2-ylpyridazine;2-methoxy-5-propan-2-ylpyridine;2-methylheptane;N-methyl-5-propan-2-ylpyrimidin-2-amine;3-propan-2-ylbenzonitrile;propan-2-ylcyclopropane;bis(3-propan-2-yldibenzofuran);5-propan-2-yl-2,3-dihydro-1-benzofuran;bis(1-(3-propan-2-ylphenyl)pyrrolidin-2-one);3-propan-2-ylpyridine;3-propan-2-ylquinoline;2-propan-2-ylquinoxaline;2-propan-2-ylthiophene;1,1,1-trifluoro-4-methylpentane (PubChem CID 159755399) has the molecular formula C225H298Cl4F3N19O10S and a molecular weight of 3659.85 g/mol. Its IUPAC name is bis(1,3-dichloro-5-propan-2-ylbenzene);bis(N,N-dimethyl-3-propan-2-ylbenzamide);3,5-dimethyl-1-(3-propan-2-ylphenyl)pyrazole;2-ethoxy-5-propan-2-ylpyrimidine;3-methoxy-6-propan-2-ylpyridazine;2-methoxy-5-propan-2-ylpyridine;2-methylheptane;N-methyl-5-propan-2-ylpyrimidin-2-amine;3-propan-2-ylbenzonitrile;propan-2-ylcyclopropane;bis(3-propan-2-yldibenzofuran);5-propan-2-yl-2,3-dihydro-1-benzofuran;bis(1-(3-propan-2-ylphenyl)pyrrolidin-2-one);3-propan-2-ylpyridine;3-propan-2-ylquinoline;2-propan-2-ylquinoxaline;2-propan-2-ylthiophene;1,1,1-trifluoro-4-methylpentane.

Molecular Properties

• Compound Name: bis(1,3-dichloro-5-propan-2-ylbenzene);bis(N,N-dimethyl-3-propan-2-ylbenzamide);3,5-dimethyl-1-(3-propan-2-ylphenyl)pyrazole;2-ethoxy-5-propan-2-ylpyrimidine;3-methoxy-6-propan-2-ylpyridazine;2-methoxy-5-propan-2-ylpyridine;2-methylheptane;N-methyl-5-propan-2-ylpyrimidin-2-amine;3-propan-2-ylbenzonitrile;propan-2-ylcyclopropane;bis(3-propan-2-yldibenzofuran);5-propan-2-yl-2,3-dihydro-1-benzofuran;bis(1-(3-propan-2-ylphenyl)pyrrolidin-2-one);3-propan-2-ylpyridine;3-propan-2-ylquinoline;2-propan-2-ylquinoxaline;2-propan-2-ylthiophene;1,1,1-trifluoro-4-methylpentane
• PubChem CID: 159755399
• Molecular Formula: C225H298Cl4F3N19O10S
• Molecular Weight: 3659.85 g/mol
• Exact Mass: 3655.18
• IUPAC Name: bis(1,3-dichloro-5-propan-2-ylbenzene);bis(N,N-dimethyl-3-propan-2-ylbenzamide);3,5-dimethyl-1-(3-propan-2-ylphenyl)pyrazole;2-ethoxy-5-propan-2-ylpyrimidine;3-methoxy-6-propan-2-ylpyridazine;2-methoxy-5-propan-2-ylpyridine;2-methylheptane;N-methyl-5-propan-2-ylpyrimidin-2-amine;3-propan-2-ylbenzonitrile;propan-2-ylcyclopropane;bis(3-propan-2-yldibenzofuran);5-propan-2-yl-2,3-dihydro-1-benzofuran;bis(1-(3-propan-2-ylphenyl)pyrrolidin-2-one);3-propan-2-ylpyridine;3-propan-2-ylquinoline;2-propan-2-ylquinoxaline;2-propan-2-ylthiophene;1,1,1-trifluoro-4-methylpentane
• SMILES: CC(C)C1CC1.CC(C)CCC(F)(F)F.CC(C)c1cc(Cl)cc(Cl)c1.CC(C)c1cc(Cl)cc(Cl)c1.CC(C)c1ccc2c(c1)CCO2.CC(C)c1ccc2c(c1)oc1ccccc12.CC(C)c1ccc2c(c1)oc1ccccc12.CC(C)c1cccc(C#N)c1.CC(C)c1cccc(C(=O)N(C)C)c1.CC(C)c1cccc(C(=O)N(C)C)c1.CC(C)c1cccc(N2CCCC2=O)c1.CC(C)c1cccc(N2CCCC2=O)c1.CC(C)c1cccnc1.CC(C)c1cccs1.CC(C)c1cnc2ccccc2c1.CC(C)c1cnc2ccccc2n1.CCCCCC(C)C.CCOc1ncc(C(C)C)cn1.CNc1ncc(C(C)C)cn1.COc1ccc(C(C)C)cn1.COc1ccc(C(C)C)nn1.Cc1cc(C)n(-c2cccc(C(C)C)c2)n1
• InChI: InChI=1S/2C15H14O.C14H18N2.2C13H17NO.2C12H17NO.C12H13N.C11H12N2.C11H14O.C10H11N.2C9H10Cl2.C9H14N2O.C9H13NO.C8H13N3.C8H12N2O.C8H11N.C8H18.C7H10S.C6H11F3.C6H12/c2*1-10(2)11-7-8-13-12-5-3-4-6-14(12)16-15(13)9-11;1-10(2)13-6-5-7-14(9-13)16-12(4)8-11(3)15-16;2*1-10(2)11-5-3-6-12(9-11)14-8-4-7-13(14)15;2*1-9(2)10-6-5-7-11(8-10)12(14)13(3)4;1-9(2)11-7-10-5-3-4-6-12(10)13-8-11;1-8(2)11-7-12-9-5-3-4-6-10(9)13-11;1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-8(2)10-5-3-4-9(6-10)7-11;2*1-6(2)7-3-8(10)5-9(11)4-7;1-4-12-9-10-5-8(6-11-9)7(2)3;1-7(2)8-4-5-9(11-3)10-6-8;1-6(2)7-4-10-8(9-3)11-5-7;1-6(2)7-4-5-8(11-3)10-9-7;1-7(2)8-4-3-5-9-6-8;1-4-5-6-7-8(2)3;1-6(2)7-4-3-5-8-7;1-5(2)3-4-6(7,8)9;1-5(2)6-3-4-6/h2*3-10H,1-2H3;5-10H,1-4H3;2*3,5-6,9-10H,4,7-8H2,1-2H3;2*5-9H,1-4H3;3-9H,1-2H3;3-8H,1-2H3;3-4,7-8H,5-6H2,1-2H3;3-6,8H,1-2H3;2*3-6H,1-2H3;5-7H,4H2,1-3H3;4-7H,1-3H3;4-6H,1-3H3,(H,9,10,11);4-6H,1-3H3;3-7H,1-2H3;8H,4-7H2,1-3H3;3-6H,1-2H3;5H,3-4H2,1-2H3;5-6H,3-4H2,1-2H3
• InChIKey: NEERGEQGJXSNOL-UHFFFAOYSA-N
• XLogP: 64.50
• TPSA: 339.87 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 26
• Rotatable Bonds: 36
• Heavy Atoms: 262
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3659.85
LogP ≤ 5	64.50
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis(1,3-dichloro-5-propan-2-ylbenzene);bis(N,N-dimethyl-3-propan-2-ylbenzamide);3,5-dimethyl-1-(3-propan-2-ylphenyl)pyrazole;2-ethoxy-5-propan-2-ylpyrimidine;3-methoxy-6-propan-2-ylpyridazine;2-methoxy-5-propan-2-ylpyridine;2-methylheptane;N-methyl-5-propan-2-ylpyrimidin-2-amine;3-propan-2-ylbenzonitrile;propan-2-ylcyclopropane;bis(3-propan-2-yldibenzofuran);5-propan-2-yl-2,3-dihydro-1-benzofuran;bis(1-(3-propan-2-ylphenyl)pyrrolidin-2-one);3-propan-2-ylpyridine;3-propan-2-ylquinoline;2-propan-2-ylquinoxaline;2-propan-2-ylthiophene;1,1,1-trifluoro-4-methylpentane?

The IUPAC name of bis(1,3-dichloro-5-propan-2-ylbenzene);bis(N,N-dimethyl-3-propan-2-ylbenzamide);3,5-dimethyl-1-(3-propan-2-ylphenyl)pyrazole;2-ethoxy-5-propan-2-ylpyrimidine;3-methoxy-6-propan-2-ylpyridazine;2-methoxy-5-propan-2-ylpyridine;2-methylheptane;N-methyl-5-propan-2-ylpyrimidin-2-amine;3-propan-2-ylbenzonitrile;propan-2-ylcyclopropane;bis(3-propan-2-yldibenzofuran);5-propan-2-yl-2,3-dihydro-1-benzofuran;bis(1-(3-propan-2-ylphenyl)pyrrolidin-2-one);3-propan-2-ylpyridine;3-propan-2-ylquinoline;2-propan-2-ylquinoxaline;2-propan-2-ylthiophene;1,1,1-trifluoro-4-methylpentane (CID 159755399) is bis(1,3-dichloro-5-propan-2-ylbenzene);bis(N,N-dimethyl-3-propan-2-ylbenzamide);3,5-dimethyl-1-(3-propan-2-ylphenyl)pyrazole;2-ethoxy-5-propan-2-ylpyrimidine;3-methoxy-6-propan-2-ylpyridazine;2-methoxy-5-propan-2-ylpyridine;2-methylheptane;N-methyl-5-propan-2-ylpyrimidin-2-amine;3-propan-2-ylbenzonitrile;propan-2-ylcyclopropane;bis(3-propan-2-yldibenzofuran);5-propan-2-yl-2,3-dihydro-1-benzofuran;bis(1-(3-propan-2-ylphenyl)pyrrolidin-2-one);3-propan-2-ylpyridine;3-propan-2-ylquinoline;2-propan-2-ylquinoxaline;2-propan-2-ylthiophene;1,1,1-trifluoro-4-methylpentane.

What is the SMILES notation for bis(1,3-dichloro-5-propan-2-ylbenzene);bis(N,N-dimethyl-3-propan-2-ylbenzamide);3,5-dimethyl-1-(3-propan-2-ylphenyl)pyrazole;2-ethoxy-5-propan-2-ylpyrimidine;3-methoxy-6-propan-2-ylpyridazine;2-methoxy-5-propan-2-ylpyridine;2-methylheptane;N-methyl-5-propan-2-ylpyrimidin-2-amine;3-propan-2-ylbenzonitrile;propan-2-ylcyclopropane;bis(3-propan-2-yldibenzofuran);5-propan-2-yl-2,3-dihydro-1-benzofuran;bis(1-(3-propan-2-ylphenyl)pyrrolidin-2-one);3-propan-2-ylpyridine;3-propan-2-ylquinoline;2-propan-2-ylquinoxaline;2-propan-2-ylthiophene;1,1,1-trifluoro-4-methylpentane?

The canonical SMILES for bis(1,3-dichloro-5-propan-2-ylbenzene);bis(N,N-dimethyl-3-propan-2-ylbenzamide);3,5-dimethyl-1-(3-propan-2-ylphenyl)pyrazole;2-ethoxy-5-propan-2-ylpyrimidine;3-methoxy-6-propan-2-ylpyridazine;2-methoxy-5-propan-2-ylpyridine;2-methylheptane;N-methyl-5-propan-2-ylpyrimidin-2-amine;3-propan-2-ylbenzonitrile;propan-2-ylcyclopropane;bis(3-propan-2-yldibenzofuran);5-propan-2-yl-2,3-dihydro-1-benzofuran;bis(1-(3-propan-2-ylphenyl)pyrrolidin-2-one);3-propan-2-ylpyridine;3-propan-2-ylquinoline;2-propan-2-ylquinoxaline;2-propan-2-ylthiophene;1,1,1-trifluoro-4-methylpentane is CC(C)C1CC1.CC(C)CCC(F)(F)F.CC(C)c1cc(Cl)cc(Cl)c1.CC(C)c1cc(Cl)cc(Cl)c1.CC(C)c1ccc2c(c1)CCO2.CC(C)c1ccc2c(c1)oc1ccccc12.CC(C)c1ccc2c(c1)oc1ccccc12.CC(C)c1cccc(C#N)c1.CC(C)c1cccc(C(=O)N(C)C)c1.CC(C)c1cccc(C(=O)N(C)C)c1.CC(C)c1cccc(N2CCCC2=O)c1.CC(C)c1cccc(N2CCCC2=O)c1.CC(C)c1cccnc1.CC(C)c1cccs1.CC(C)c1cnc2ccccc2c1.CC(C)c1cnc2ccccc2n1.CCCCCC(C)C.CCOc1ncc(C(C)C)cn1.CNc1ncc(C(C)C)cn1.COc1ccc(C(C)C)cn1.COc1ccc(C(C)C)nn1.Cc1cc(C)n(-c2cccc(C(C)C)c2)n1.

What is the InChIKey of bis(1,3-dichloro-5-propan-2-ylbenzene);bis(N,N-dimethyl-3-propan-2-ylbenzamide);3,5-dimethyl-1-(3-propan-2-ylphenyl)pyrazole;2-ethoxy-5-propan-2-ylpyrimidine;3-methoxy-6-propan-2-ylpyridazine;2-methoxy-5-propan-2-ylpyridine;2-methylheptane;N-methyl-5-propan-2-ylpyrimidin-2-amine;3-propan-2-ylbenzonitrile;propan-2-ylcyclopropane;bis(3-propan-2-yldibenzofuran);5-propan-2-yl-2,3-dihydro-1-benzofuran;bis(1-(3-propan-2-ylphenyl)pyrrolidin-2-one);3-propan-2-ylpyridine;3-propan-2-ylquinoline;2-propan-2-ylquinoxaline;2-propan-2-ylthiophene;1,1,1-trifluoro-4-methylpentane?

The InChIKey is NEERGEQGJXSNOL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C15H14O.C14H18N2.2C13H17NO.2C12H17NO.C12H13N.C11H12N2.C11H14O.C10H11N.2C9H10Cl2.C9H14N2O.C9H13NO.C8H13N3.C8H12N2O.C8H11N.C8H18.C7H10S.C6H11F3.C6H12/c2*1-10(2)11-7-8-13-12-5-3-4-6-14(12)16-15(13)9-11;1-10(2)13-6-5-7-14(9-13)16-12(4)8-11(3)15-16;2*1-10(2)11-5-3-6-12(9-11)14-8-4-7-13(14)15;2*1-9(2)10-6-5-7-11(8-10)12(14)13(3)4;1-9(2)11-7-10-5-3-4-6-12(10)13-8-11;1-8(2)11-7-12-9-5-3-4-6-10(9)13-11;1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-8(2)10-5-3-4-9(6-10)7-11;2*1-6(2)7-3-8(10)5-9(11)4-7;1-4-12-9-10-5-8(6-11-9)7(2)3;1-7(2)8-4-5-9(11-3)10-6-8;1-6(2)7-4-10-8(9-3)11-5-7;1-6(2)7-4-5-8(11-3)10-9-7;1-7(2)8-4-3-5-9-6-8;1-4-5-6-7-8(2)3;1-6(2)7-4-3-5-8-7;1-5(2)3-4-6(7,8)9;1-5(2)6-3-4-6/h2*3-10H,1-2H3;5-10H,1-4H3;2*3,5-6,9-10H,4,7-8H2,1-2H3;2*5-9H,1-4H3;3-9H,1-2H3;3-8H,1-2H3;3-4,7-8H,5-6H2,1-2H3;3-6,8H,1-2H3;2*3-6H,1-2H3;5-7H,4H2,1-3H3;4-7H,1-3H3;4-6H,1-3H3,(H,9,10,11);4-6H,1-3H3;3-7H,1-2H3;8H,4-7H2,1-3H3;3-6H,1-2H3;5H,3-4H2,1-2H3;5-6H,3-4H2,1-2H3.

What are the key properties of bis(1,3-dichloro-5-propan-2-ylbenzene);bis(N,N-dimethyl-3-propan-2-ylbenzamide);3,5-dimethyl-1-(3-propan-2-ylphenyl)pyrazole;2-ethoxy-5-propan-2-ylpyrimidine;3-methoxy-6-propan-2-ylpyridazine;2-methoxy-5-propan-2-ylpyridine;2-methylheptane;N-methyl-5-propan-2-ylpyrimidin-2-amine;3-propan-2-ylbenzonitrile;propan-2-ylcyclopropane;bis(3-propan-2-yldibenzofuran);5-propan-2-yl-2,3-dihydro-1-benzofuran;bis(1-(3-propan-2-ylphenyl)pyrrolidin-2-one);3-propan-2-ylpyridine;3-propan-2-ylquinoline;2-propan-2-ylquinoxaline;2-propan-2-ylthiophene;1,1,1-trifluoro-4-methylpentane?

bis(1,3-dichloro-5-propan-2-ylbenzene);bis(N,N-dimethyl-3-propan-2-ylbenzamide);3,5-dimethyl-1-(3-propan-2-ylphenyl)pyrazole;2-ethoxy-5-propan-2-ylpyrimidine;3-methoxy-6-propan-2-ylpyridazine;2-methoxy-5-propan-2-ylpyridine;2-methylheptane;N-methyl-5-propan-2-ylpyrimidin-2-amine;3-propan-2-ylbenzonitrile;propan-2-ylcyclopropane;bis(3-propan-2-yldibenzofuran);5-propan-2-yl-2,3-dihydro-1-benzofuran;bis(1-(3-propan-2-ylphenyl)pyrrolidin-2-one);3-propan-2-ylpyridine;3-propan-2-ylquinoline;2-propan-2-ylquinoxaline;2-propan-2-ylthiophene;1,1,1-trifluoro-4-methylpentane has a molecular weight of 3659.85 g/mol, XLogP of 64.50, 36 rotatable bonds, 1 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for bis(1,3-dichloro-5-propan-2-ylbenzene);bis(N,N-dimethyl-3-propan-2-ylbenzamide);3,5-dimethyl-1-(3-propan-2-ylphenyl)pyrazole;2-ethoxy-5-propan-2-ylpyrimidine;3-methoxy-6-propan-2-ylpyridazine;2-methoxy-5-propan-2-ylpyridine;2-methylheptane;N-methyl-5-propan-2-ylpyrimidin-2-amine;3-propan-2-ylbenzonitrile;propan-2-ylcyclopropane;bis(3-propan-2-yldibenzofuran);5-propan-2-yl-2,3-dihydro-1-benzofuran;bis(1-(3-propan-2-ylphenyl)pyrrolidin-2-one);3-propan-2-ylpyridine;3-propan-2-ylquinoline;2-propan-2-ylquinoxaline;2-propan-2-ylthiophene;1,1,1-trifluoro-4-methylpentane is sourced from PubChem (CID 159755399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).