1,1-difluoro-4-methylpent-1-ene;2,3-dimethylbutane;2,4-dimethylpentane;2,4-dimethylpent-1-ene;2-fluoro-4-methylpent-1-ene;methane;1-methoxy-3-methylbutane;2-methoxypropane;2-methylbutane;3-methylbutan-1-ol;2-(3-methylbutan-2-yl)pyridine;bis(3-(3-methylbutan-2-yl)pyridine);4-(3-methylbutan-2-yl)pyridine;3-methyl-1-methylsulfanylbutane;bis(4-methylpentan-2-ol);4-methylpent-1-ene;4-methylpent-1-yne;2-methylpropane;2-methylpropylbenzene;2-methylpropylcyclopropane;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;4-(2-methylpropyl)-1,3-thiazole;3-(2-methylpropyl)thiophene;propane;propan-2-ol;propan-2-ylcyclopropane;2,2,4-trimethylpentane

C207H391F3N8O6S3 — CID 158093985

About 1,1-difluoro-4-methylpent-1-ene;2,3-dimethylbutane;2,4-dimethylpentane;2,4-dimethylpent-1-ene;2-fluoro-4-methylpent-1-ene;methane;1-methoxy-3-methylbutane;2-methoxypropane;2-methylbutane;3-methylbutan-1-ol;2-(3-methylbutan-2-yl)pyridine;bis(3-(3-methylbutan-2-yl)pyridine);4-(3-methylbutan-2-yl)pyridine;3-methyl-1-methylsulfanylbutane;bis(4-methylpentan-2-ol);4-methylpent-1-ene;4-methylpent-1-yne;2-methylpropane;2-methylpropylbenzene;2-methylpropylcyclopropane;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;4-(2-methylpropyl)-1,3-thiazole;3-(2-methylpropyl)thiophene;propane;propan-2-ol;propan-2-ylcyclopropane;2,2,4-trimethylpentane

1,1-difluoro-4-methylpent-1-ene;2,3-dimethylbutane;2,4-dimethylpentane;2,4-dimethylpent-1-ene;2-fluoro-4-methylpent-1-ene;methane;1-methoxy-3-methylbutane;2-methoxypropane;2-methylbutane;3-methylbutan-1-ol;2-(3-methylbutan-2-yl)pyridine;bis(3-(3-methylbutan-2-yl)pyridine);4-(3-methylbutan-2-yl)pyridine;3-methyl-1-methylsulfanylbutane;bis(4-methylpentan-2-ol);4-methylpent-1-ene;4-methylpent-1-yne;2-methylpropane;2-methylpropylbenzene;2-methylpropylcyclopropane;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;4-(2-methylpropyl)-1,3-thiazole;3-(2-methylpropyl)thiophene;propane;propan-2-ol;propan-2-ylcyclopropane;2,2,4-trimethylpentane (PubChem CID 158093985) has the molecular formula C207H391F3N8O6S3 and a molecular weight of 3241.65 g/mol. Its IUPAC name is 1,1-difluoro-4-methylpent-1-ene;2,3-dimethylbutane;2,4-dimethylpentane;2,4-dimethylpent-1-ene;2-fluoro-4-methylpent-1-ene;methane;1-methoxy-3-methylbutane;2-methoxypropane;2-methylbutane;3-methylbutan-1-ol;2-(3-methylbutan-2-yl)pyridine;bis(3-(3-methylbutan-2-yl)pyridine);4-(3-methylbutan-2-yl)pyridine;3-methyl-1-methylsulfanylbutane;bis(4-methylpentan-2-ol);4-methylpent-1-ene;4-methylpent-1-yne;2-methylpropane;2-methylpropylbenzene;2-methylpropylcyclopropane;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;4-(2-methylpropyl)-1,3-thiazole;3-(2-methylpropyl)thiophene;propane;propan-2-ol;propan-2-ylcyclopropane;2,2,4-trimethylpentane.

Molecular Properties

• Compound Name: 1,1-difluoro-4-methylpent-1-ene;2,3-dimethylbutane;2,4-dimethylpentane;2,4-dimethylpent-1-ene;2-fluoro-4-methylpent-1-ene;methane;1-methoxy-3-methylbutane;2-methoxypropane;2-methylbutane;3-methylbutan-1-ol;2-(3-methylbutan-2-yl)pyridine;bis(3-(3-methylbutan-2-yl)pyridine);4-(3-methylbutan-2-yl)pyridine;3-methyl-1-methylsulfanylbutane;bis(4-methylpentan-2-ol);4-methylpent-1-ene;4-methylpent-1-yne;2-methylpropane;2-methylpropylbenzene;2-methylpropylcyclopropane;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;4-(2-methylpropyl)-1,3-thiazole;3-(2-methylpropyl)thiophene;propane;propan-2-ol;propan-2-ylcyclopropane;2,2,4-trimethylpentane
• PubChem CID: 158093985
• Molecular Formula: C207H391F3N8O6S3
• Molecular Weight: 3241.65 g/mol
• Exact Mass: 3238.97
• IUPAC Name: 1,1-difluoro-4-methylpent-1-ene;2,3-dimethylbutane;2,4-dimethylpentane;2,4-dimethylpent-1-ene;2-fluoro-4-methylpent-1-ene;methane;1-methoxy-3-methylbutane;2-methoxypropane;2-methylbutane;3-methylbutan-1-ol;2-(3-methylbutan-2-yl)pyridine;bis(3-(3-methylbutan-2-yl)pyridine);4-(3-methylbutan-2-yl)pyridine;3-methyl-1-methylsulfanylbutane;bis(4-methylpentan-2-ol);4-methylpent-1-ene;4-methylpent-1-yne;2-methylpropane;2-methylpropylbenzene;2-methylpropylcyclopropane;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;4-(2-methylpropyl)-1,3-thiazole;3-(2-methylpropyl)thiophene;propane;propan-2-ol;propan-2-ylcyclopropane;2,2,4-trimethylpentane
• SMILES: C.C.C#CCC(C)C.C=C(C)CC(C)C.C=C(F)CC(C)C.C=CCC(C)C.CC(C)C.CC(C)C(C)C.CC(C)C(C)c1ccccn1.CC(C)C(C)c1cccnc1.CC(C)C(C)c1cccnc1.CC(C)C(C)c1ccncc1.CC(C)C1CC1.CC(C)CC(C)(C)C.CC(C)CC(C)C.CC(C)CC(C)O.CC(C)CC(C)O.CC(C)CC1CC1.CC(C)CC=C(F)F.CC(C)CCO.CC(C)Cc1ccccc1.CC(C)Cc1ccccn1.CC(C)Cc1cccnc1.CC(C)Cc1ccncc1.CC(C)Cc1ccsc1.CC(C)Cc1cscn1.CC(C)O.CCC.CCC(C)C.COC(C)C.COCCC(C)C.CSCCC(C)C
• InChI: InChI=1S/4C10H15N.C10H14.3C9H13N.C8H12S.C8H18.C7H11NS.C7H14.C7H16.C7H14.C6H10F2.C6H11F.3C6H14O.C6H14S.C6H12.C6H14.C6H12.C6H10.C5H12O.C5H12.C4H10O.C4H10.C3H8O.C3H8.2CH4/c1-8(2)9(3)10-4-6-11-7-5-10;2*1-8(2)9(3)10-5-4-6-11-7-10;1-8(2)9(3)10-6-4-5-7-11-10;1-9(2)8-10-6-4-3-5-7-10;1-8(2)7-9-3-5-10-6-4-9;1-8(2)6-9-4-3-5-10-7-9;1-8(2)7-9-5-3-4-6-10-9;1-7(2)5-8-3-4-9-6-8;1-7(2)6-8(3,4)5;1-6(2)3-7-4-9-5-8-7;1-6(2)5-7-3-4-7;2*1-6(2)5-7(3)4;1-5(2)3-4-6(7)8;1-5(2)4-6(3)7;1-6(2)4-5-7-3;2*1-5(2)4-6(3)7;1-6(2)4-5-7-3;1-5(2)6-3-4-6;1-5(2)6(3)4;2*1-4-5-6(2)3;1-5(2)3-4-6;1-4-5(2)3;1-4(2)5-3;1-4(2)3;1-3(2)4;1-3-2;;/h4*4-9H,1-3H3;3-7,9H,8H2,1-2H3;3-6,8H,7H2,1-2H3;3-5,7-8H,6H2,1-2H3;3-6,8H,7H2,1-2H3;3-4,6-7H,5H2,1-2H3;7H,6H2,1-5H3;4-6H,3H2,1-2H3;6-7H,3-5H2,1-2H3;6-7H,5H2,1-4H3;7H,1,5H2,2-4H3;4-5H,3H2,1-2H3;5H,3-4H2,1-2H3;6H,4-5H2,1-3H3;2*5-7H,4H2,1-3H3;6H,4-5H2,1-3H3;5-6H,3-4H2,1-2H3;5-6H,1-4H3;4,6H,1,5H2,2-3H3;1,6H,5H2,2-3H3;5-6H,3-4H2,1-2H3;5H,4H2,1-3H3;4H,1-3H3;4H,1-3H3;3-4H,1-2H3;3H2,1-2H3;2*1H4
• InChIKey: FOLIAGRNXASPKZ-UHFFFAOYSA-N
• XLogP: 66.52
• TPSA: 202.50 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 17
• Rotatable Bonds: 50
• Heavy Atoms: 227
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3241.65
LogP ≤ 5	66.52
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-4-methylpent-1-ene;2,3-dimethylbutane;2,4-dimethylpentane;2,4-dimethylpent-1-ene;2-fluoro-4-methylpent-1-ene;methane;1-methoxy-3-methylbutane;2-methoxypropane;2-methylbutane;3-methylbutan-1-ol;2-(3-methylbutan-2-yl)pyridine;bis(3-(3-methylbutan-2-yl)pyridine);4-(3-methylbutan-2-yl)pyridine;3-methyl-1-methylsulfanylbutane;bis(4-methylpentan-2-ol);4-methylpent-1-ene;4-methylpent-1-yne;2-methylpropane;2-methylpropylbenzene;2-methylpropylcyclopropane;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;4-(2-methylpropyl)-1,3-thiazole;3-(2-methylpropyl)thiophene;propane;propan-2-ol;propan-2-ylcyclopropane;2,2,4-trimethylpentane?

The IUPAC name of 1,1-difluoro-4-methylpent-1-ene;2,3-dimethylbutane;2,4-dimethylpentane;2,4-dimethylpent-1-ene;2-fluoro-4-methylpent-1-ene;methane;1-methoxy-3-methylbutane;2-methoxypropane;2-methylbutane;3-methylbutan-1-ol;2-(3-methylbutan-2-yl)pyridine;bis(3-(3-methylbutan-2-yl)pyridine);4-(3-methylbutan-2-yl)pyridine;3-methyl-1-methylsulfanylbutane;bis(4-methylpentan-2-ol);4-methylpent-1-ene;4-methylpent-1-yne;2-methylpropane;2-methylpropylbenzene;2-methylpropylcyclopropane;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;4-(2-methylpropyl)-1,3-thiazole;3-(2-methylpropyl)thiophene;propane;propan-2-ol;propan-2-ylcyclopropane;2,2,4-trimethylpentane (CID 158093985) is 1,1-difluoro-4-methylpent-1-ene;2,3-dimethylbutane;2,4-dimethylpentane;2,4-dimethylpent-1-ene;2-fluoro-4-methylpent-1-ene;methane;1-methoxy-3-methylbutane;2-methoxypropane;2-methylbutane;3-methylbutan-1-ol;2-(3-methylbutan-2-yl)pyridine;bis(3-(3-methylbutan-2-yl)pyridine);4-(3-methylbutan-2-yl)pyridine;3-methyl-1-methylsulfanylbutane;bis(4-methylpentan-2-ol);4-methylpent-1-ene;4-methylpent-1-yne;2-methylpropane;2-methylpropylbenzene;2-methylpropylcyclopropane;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;4-(2-methylpropyl)-1,3-thiazole;3-(2-methylpropyl)thiophene;propane;propan-2-ol;propan-2-ylcyclopropane;2,2,4-trimethylpentane.

What is the SMILES notation for 1,1-difluoro-4-methylpent-1-ene;2,3-dimethylbutane;2,4-dimethylpentane;2,4-dimethylpent-1-ene;2-fluoro-4-methylpent-1-ene;methane;1-methoxy-3-methylbutane;2-methoxypropane;2-methylbutane;3-methylbutan-1-ol;2-(3-methylbutan-2-yl)pyridine;bis(3-(3-methylbutan-2-yl)pyridine);4-(3-methylbutan-2-yl)pyridine;3-methyl-1-methylsulfanylbutane;bis(4-methylpentan-2-ol);4-methylpent-1-ene;4-methylpent-1-yne;2-methylpropane;2-methylpropylbenzene;2-methylpropylcyclopropane;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;4-(2-methylpropyl)-1,3-thiazole;3-(2-methylpropyl)thiophene;propane;propan-2-ol;propan-2-ylcyclopropane;2,2,4-trimethylpentane?

The canonical SMILES for 1,1-difluoro-4-methylpent-1-ene;2,3-dimethylbutane;2,4-dimethylpentane;2,4-dimethylpent-1-ene;2-fluoro-4-methylpent-1-ene;methane;1-methoxy-3-methylbutane;2-methoxypropane;2-methylbutane;3-methylbutan-1-ol;2-(3-methylbutan-2-yl)pyridine;bis(3-(3-methylbutan-2-yl)pyridine);4-(3-methylbutan-2-yl)pyridine;3-methyl-1-methylsulfanylbutane;bis(4-methylpentan-2-ol);4-methylpent-1-ene;4-methylpent-1-yne;2-methylpropane;2-methylpropylbenzene;2-methylpropylcyclopropane;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;4-(2-methylpropyl)-1,3-thiazole;3-(2-methylpropyl)thiophene;propane;propan-2-ol;propan-2-ylcyclopropane;2,2,4-trimethylpentane is C.C.C#CCC(C)C.C=C(C)CC(C)C.C=C(F)CC(C)C.C=CCC(C)C.CC(C)C.CC(C)C(C)C.CC(C)C(C)c1ccccn1.CC(C)C(C)c1cccnc1.CC(C)C(C)c1cccnc1.CC(C)C(C)c1ccncc1.CC(C)C1CC1.CC(C)CC(C)(C)C.CC(C)CC(C)C.CC(C)CC(C)O.CC(C)CC(C)O.CC(C)CC1CC1.CC(C)CC=C(F)F.CC(C)CCO.CC(C)Cc1ccccc1.CC(C)Cc1ccccn1.CC(C)Cc1cccnc1.CC(C)Cc1ccncc1.CC(C)Cc1ccsc1.CC(C)Cc1cscn1.CC(C)O.CCC.CCC(C)C.COC(C)C.COCCC(C)C.CSCCC(C)C.

What is the InChIKey of 1,1-difluoro-4-methylpent-1-ene;2,3-dimethylbutane;2,4-dimethylpentane;2,4-dimethylpent-1-ene;2-fluoro-4-methylpent-1-ene;methane;1-methoxy-3-methylbutane;2-methoxypropane;2-methylbutane;3-methylbutan-1-ol;2-(3-methylbutan-2-yl)pyridine;bis(3-(3-methylbutan-2-yl)pyridine);4-(3-methylbutan-2-yl)pyridine;3-methyl-1-methylsulfanylbutane;bis(4-methylpentan-2-ol);4-methylpent-1-ene;4-methylpent-1-yne;2-methylpropane;2-methylpropylbenzene;2-methylpropylcyclopropane;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;4-(2-methylpropyl)-1,3-thiazole;3-(2-methylpropyl)thiophene;propane;propan-2-ol;propan-2-ylcyclopropane;2,2,4-trimethylpentane?

The InChIKey is FOLIAGRNXASPKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/4C10H15N.C10H14.3C9H13N.C8H12S.C8H18.C7H11NS.C7H14.C7H16.C7H14.C6H10F2.C6H11F.3C6H14O.C6H14S.C6H12.C6H14.C6H12.C6H10.C5H12O.C5H12.C4H10O.C4H10.C3H8O.C3H8.2CH4/c1-8(2)9(3)10-4-6-11-7-5-10;2*1-8(2)9(3)10-5-4-6-11-7-10;1-8(2)9(3)10-6-4-5-7-11-10;1-9(2)8-10-6-4-3-5-7-10;1-8(2)7-9-3-5-10-6-4-9;1-8(2)6-9-4-3-5-10-7-9;1-8(2)7-9-5-3-4-6-10-9;1-7(2)5-8-3-4-9-6-8;1-7(2)6-8(3,4)5;1-6(2)3-7-4-9-5-8-7;1-6(2)5-7-3-4-7;2*1-6(2)5-7(3)4;1-5(2)3-4-6(7)8;1-5(2)4-6(3)7;1-6(2)4-5-7-3;2*1-5(2)4-6(3)7;1-6(2)4-5-7-3;1-5(2)6-3-4-6;1-5(2)6(3)4;2*1-4-5-6(2)3;1-5(2)3-4-6;1-4-5(2)3;1-4(2)5-3;1-4(2)3;1-3(2)4;1-3-2;;/h4*4-9H,1-3H3;3-7,9H,8H2,1-2H3;3-6,8H,7H2,1-2H3;3-5,7-8H,6H2,1-2H3;3-6,8H,7H2,1-2H3;3-4,6-7H,5H2,1-2H3;7H,6H2,1-5H3;4-6H,3H2,1-2H3;6-7H,3-5H2,1-2H3;6-7H,5H2,1-4H3;7H,1,5H2,2-4H3;4-5H,3H2,1-2H3;5H,3-4H2,1-2H3;6H,4-5H2,1-3H3;2*5-7H,4H2,1-3H3;6H,4-5H2,1-3H3;5-6H,3-4H2,1-2H3;5-6H,1-4H3;4,6H,1,5H2,2-3H3;1,6H,5H2,2-3H3;5-6H,3-4H2,1-2H3;5H,4H2,1-3H3;4H,1-3H3;4H,1-3H3;3-4H,1-2H3;3H2,1-2H3;2*1H4.

What are the key properties of 1,1-difluoro-4-methylpent-1-ene;2,3-dimethylbutane;2,4-dimethylpentane;2,4-dimethylpent-1-ene;2-fluoro-4-methylpent-1-ene;methane;1-methoxy-3-methylbutane;2-methoxypropane;2-methylbutane;3-methylbutan-1-ol;2-(3-methylbutan-2-yl)pyridine;bis(3-(3-methylbutan-2-yl)pyridine);4-(3-methylbutan-2-yl)pyridine;3-methyl-1-methylsulfanylbutane;bis(4-methylpentan-2-ol);4-methylpent-1-ene;4-methylpent-1-yne;2-methylpropane;2-methylpropylbenzene;2-methylpropylcyclopropane;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;4-(2-methylpropyl)-1,3-thiazole;3-(2-methylpropyl)thiophene;propane;propan-2-ol;propan-2-ylcyclopropane;2,2,4-trimethylpentane?

1,1-difluoro-4-methylpent-1-ene;2,3-dimethylbutane;2,4-dimethylpentane;2,4-dimethylpent-1-ene;2-fluoro-4-methylpent-1-ene;methane;1-methoxy-3-methylbutane;2-methoxypropane;2-methylbutane;3-methylbutan-1-ol;2-(3-methylbutan-2-yl)pyridine;bis(3-(3-methylbutan-2-yl)pyridine);4-(3-methylbutan-2-yl)pyridine;3-methyl-1-methylsulfanylbutane;bis(4-methylpentan-2-ol);4-methylpent-1-ene;4-methylpent-1-yne;2-methylpropane;2-methylpropylbenzene;2-methylpropylcyclopropane;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;4-(2-methylpropyl)-1,3-thiazole;3-(2-methylpropyl)thiophene;propane;propan-2-ol;propan-2-ylcyclopropane;2,2,4-trimethylpentane has a molecular weight of 3241.65 g/mol, XLogP of 66.52, 50 rotatable bonds, 4 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 1,1-difluoro-4-methylpent-1-ene;2,3-dimethylbutane;2,4-dimethylpentane;2,4-dimethylpent-1-ene;2-fluoro-4-methylpent-1-ene;methane;1-methoxy-3-methylbutane;2-methoxypropane;2-methylbutane;3-methylbutan-1-ol;2-(3-methylbutan-2-yl)pyridine;bis(3-(3-methylbutan-2-yl)pyridine);4-(3-methylbutan-2-yl)pyridine;3-methyl-1-methylsulfanylbutane;bis(4-methylpentan-2-ol);4-methylpent-1-ene;4-methylpent-1-yne;2-methylpropane;2-methylpropylbenzene;2-methylpropylcyclopropane;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;4-(2-methylpropyl)-1,3-thiazole;3-(2-methylpropyl)thiophene;propane;propan-2-ol;propan-2-ylcyclopropane;2,2,4-trimethylpentane is sourced from PubChem (CID 158093985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).