6-(2,2-dimethylpropyl)-3,6-dihydro-2H-pyran;3-(2,2-dimethylpropyl)furan;2-(2,2-dimethylpropyl)-1H-pyrrole;3-(2,2-dimethylpropyl)-1H-pyrrole;3-(2,2-dimethylpropyl)thiophene;ethane;tris(2-methylbutane);2-methylpropylbenzene;2-(2-methylpropyl)furan;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)thiophene;oxolane;pyrrolidine;thiolane

C154H298N6O4S3 — CID 159487473

About 6-(2,2-dimethylpropyl)-3,6-dihydro-2H-pyran;3-(2,2-dimethylpropyl)furan;2-(2,2-dimethylpropyl)-1H-pyrrole;3-(2,2-dimethylpropyl)-1H-pyrrole;3-(2,2-dimethylpropyl)thiophene;ethane;tris(2-methylbutane);2-methylpropylbenzene;2-(2-methylpropyl)furan;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)thiophene;oxolane;pyrrolidine;thiolane

6-(2,2-dimethylpropyl)-3,6-dihydro-2H-pyran;3-(2,2-dimethylpropyl)furan;2-(2,2-dimethylpropyl)-1H-pyrrole;3-(2,2-dimethylpropyl)-1H-pyrrole;3-(2,2-dimethylpropyl)thiophene;ethane;tris(2-methylbutane);2-methylpropylbenzene;2-(2-methylpropyl)furan;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)thiophene;oxolane;pyrrolidine;thiolane (PubChem CID 159487473) has the molecular formula C154H298N6O4S3 and a molecular weight of 2394.32 g/mol. Its IUPAC name is 6-(2,2-dimethylpropyl)-3,6-dihydro-2H-pyran;3-(2,2-dimethylpropyl)furan;2-(2,2-dimethylpropyl)-1H-pyrrole;3-(2,2-dimethylpropyl)-1H-pyrrole;3-(2,2-dimethylpropyl)thiophene;ethane;tris(2-methylbutane);2-methylpropylbenzene;2-(2-methylpropyl)furan;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)thiophene;oxolane;pyrrolidine;thiolane.

Molecular Properties

• Compound Name: 6-(2,2-dimethylpropyl)-3,6-dihydro-2H-pyran;3-(2,2-dimethylpropyl)furan;2-(2,2-dimethylpropyl)-1H-pyrrole;3-(2,2-dimethylpropyl)-1H-pyrrole;3-(2,2-dimethylpropyl)thiophene;ethane;tris(2-methylbutane);2-methylpropylbenzene;2-(2-methylpropyl)furan;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)thiophene;oxolane;pyrrolidine;thiolane
• PubChem CID: 159487473
• Molecular Formula: C154H298N6O4S3
• Molecular Weight: 2394.32 g/mol
• Exact Mass: 2392.25
• IUPAC Name: 6-(2,2-dimethylpropyl)-3,6-dihydro-2H-pyran;3-(2,2-dimethylpropyl)furan;2-(2,2-dimethylpropyl)-1H-pyrrole;3-(2,2-dimethylpropyl)-1H-pyrrole;3-(2,2-dimethylpropyl)thiophene;ethane;tris(2-methylbutane);2-methylpropylbenzene;2-(2-methylpropyl)furan;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)thiophene;oxolane;pyrrolidine;thiolane
• SMILES: C1CCNC1.C1CCOC1.C1CCSC1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(C)CC1C=CCCO1.CC(C)(C)Cc1cc[nH]c1.CC(C)(C)Cc1ccc[nH]1.CC(C)(C)Cc1ccoc1.CC(C)(C)Cc1ccsc1.CC(C)Cc1ccccc1.CC(C)Cc1ccccn1.CC(C)Cc1cccnc1.CC(C)Cc1ccco1.CC(C)Cc1cccs1.CC(C)Cc1ccncc1.CCC(C)C.CCC(C)C.CCC(C)C
• InChI: InChI=1S/C10H18O.C10H14.2C9H15N.3C9H13N.C9H14O.C9H14S.C8H12O.C8H12S.3C5H12.C4H9N.C4H8O.C4H8S.14C2H6/c1-10(2,3)8-9-6-4-5-7-11-9;1-9(2)8-10-6-4-3-5-7-10;1-9(2,3)6-8-4-5-10-7-8;1-9(2,3)7-8-5-4-6-10-8;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;2*1-9(2,3)6-8-4-5-10-7-8;2*1-7(2)6-8-4-3-5-9-8;3*1-4-5(2)3;3*1-2-4-5-3-1;14*1-2/h4,6,9H,5,7-8H2,1-3H3;3-7,9H,8H2,1-2H3;4-5,7,10H,6H2,1-3H3;4-6,10H,7H2,1-3H3;3-6,8H,7H2,1-2H3;3-5,7-8H,6H2,1-2H3;3-6,8H,7H2,1-2H3;2*4-5,7H,6H2,1-3H3;2*3-5,7H,6H2,1-2H3;3*5H,4H2,1-3H3;5H,1-4H2;2*1-4H2;14*1-2H3
• InChIKey: LXTKKWIWWUCGDL-UHFFFAOYSA-N
• XLogP: 52.53
• TPSA: 127.02 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 20
• Heavy Atoms: 167
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2394.32
LogP ≤ 5	52.53
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-(2,2-dimethylpropyl)-3,6-dihydro-2H-pyran;3-(2,2-dimethylpropyl)furan;2-(2,2-dimethylpropyl)-1H-pyrrole;3-(2,2-dimethylpropyl)-1H-pyrrole;3-(2,2-dimethylpropyl)thiophene;ethane;tris(2-methylbutane);2-methylpropylbenzene;2-(2-methylpropyl)furan;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)thiophene;oxolane;pyrrolidine;thiolane?

The IUPAC name of 6-(2,2-dimethylpropyl)-3,6-dihydro-2H-pyran;3-(2,2-dimethylpropyl)furan;2-(2,2-dimethylpropyl)-1H-pyrrole;3-(2,2-dimethylpropyl)-1H-pyrrole;3-(2,2-dimethylpropyl)thiophene;ethane;tris(2-methylbutane);2-methylpropylbenzene;2-(2-methylpropyl)furan;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)thiophene;oxolane;pyrrolidine;thiolane (CID 159487473) is 6-(2,2-dimethylpropyl)-3,6-dihydro-2H-pyran;3-(2,2-dimethylpropyl)furan;2-(2,2-dimethylpropyl)-1H-pyrrole;3-(2,2-dimethylpropyl)-1H-pyrrole;3-(2,2-dimethylpropyl)thiophene;ethane;tris(2-methylbutane);2-methylpropylbenzene;2-(2-methylpropyl)furan;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)thiophene;oxolane;pyrrolidine;thiolane.

What is the SMILES notation for 6-(2,2-dimethylpropyl)-3,6-dihydro-2H-pyran;3-(2,2-dimethylpropyl)furan;2-(2,2-dimethylpropyl)-1H-pyrrole;3-(2,2-dimethylpropyl)-1H-pyrrole;3-(2,2-dimethylpropyl)thiophene;ethane;tris(2-methylbutane);2-methylpropylbenzene;2-(2-methylpropyl)furan;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)thiophene;oxolane;pyrrolidine;thiolane?

The canonical SMILES for 6-(2,2-dimethylpropyl)-3,6-dihydro-2H-pyran;3-(2,2-dimethylpropyl)furan;2-(2,2-dimethylpropyl)-1H-pyrrole;3-(2,2-dimethylpropyl)-1H-pyrrole;3-(2,2-dimethylpropyl)thiophene;ethane;tris(2-methylbutane);2-methylpropylbenzene;2-(2-methylpropyl)furan;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)thiophene;oxolane;pyrrolidine;thiolane is C1CCNC1.C1CCOC1.C1CCSC1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(C)CC1C=CCCO1.CC(C)(C)Cc1cc[nH]c1.CC(C)(C)Cc1ccc[nH]1.CC(C)(C)Cc1ccoc1.CC(C)(C)Cc1ccsc1.CC(C)Cc1ccccc1.CC(C)Cc1ccccn1.CC(C)Cc1cccnc1.CC(C)Cc1ccco1.CC(C)Cc1cccs1.CC(C)Cc1ccncc1.CCC(C)C.CCC(C)C.CCC(C)C.

What is the InChIKey of 6-(2,2-dimethylpropyl)-3,6-dihydro-2H-pyran;3-(2,2-dimethylpropyl)furan;2-(2,2-dimethylpropyl)-1H-pyrrole;3-(2,2-dimethylpropyl)-1H-pyrrole;3-(2,2-dimethylpropyl)thiophene;ethane;tris(2-methylbutane);2-methylpropylbenzene;2-(2-methylpropyl)furan;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)thiophene;oxolane;pyrrolidine;thiolane?

The InChIKey is LXTKKWIWWUCGDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O.C10H14.2C9H15N.3C9H13N.C9H14O.C9H14S.C8H12O.C8H12S.3C5H12.C4H9N.C4H8O.C4H8S.14C2H6/c1-10(2,3)8-9-6-4-5-7-11-9;1-9(2)8-10-6-4-3-5-7-10;1-9(2,3)6-8-4-5-10-7-8;1-9(2,3)7-8-5-4-6-10-8;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;2*1-9(2,3)6-8-4-5-10-7-8;2*1-7(2)6-8-4-3-5-9-8;3*1-4-5(2)3;3*1-2-4-5-3-1;14*1-2/h4,6,9H,5,7-8H2,1-3H3;3-7,9H,8H2,1-2H3;4-5,7,10H,6H2,1-3H3;4-6,10H,7H2,1-3H3;3-6,8H,7H2,1-2H3;3-5,7-8H,6H2,1-2H3;3-6,8H,7H2,1-2H3;2*4-5,7H,6H2,1-3H3;2*3-5,7H,6H2,1-2H3;3*5H,4H2,1-3H3;5H,1-4H2;2*1-4H2;14*1-2H3.

What are the key properties of 6-(2,2-dimethylpropyl)-3,6-dihydro-2H-pyran;3-(2,2-dimethylpropyl)furan;2-(2,2-dimethylpropyl)-1H-pyrrole;3-(2,2-dimethylpropyl)-1H-pyrrole;3-(2,2-dimethylpropyl)thiophene;ethane;tris(2-methylbutane);2-methylpropylbenzene;2-(2-methylpropyl)furan;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)thiophene;oxolane;pyrrolidine;thiolane?

6-(2,2-dimethylpropyl)-3,6-dihydro-2H-pyran;3-(2,2-dimethylpropyl)furan;2-(2,2-dimethylpropyl)-1H-pyrrole;3-(2,2-dimethylpropyl)-1H-pyrrole;3-(2,2-dimethylpropyl)thiophene;ethane;tris(2-methylbutane);2-methylpropylbenzene;2-(2-methylpropyl)furan;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)thiophene;oxolane;pyrrolidine;thiolane has a molecular weight of 2394.32 g/mol, XLogP of 52.53, 20 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(2,2-dimethylpropyl)-3,6-dihydro-2H-pyran;3-(2,2-dimethylpropyl)furan;2-(2,2-dimethylpropyl)-1H-pyrrole;3-(2,2-dimethylpropyl)-1H-pyrrole;3-(2,2-dimethylpropyl)thiophene;ethane;tris(2-methylbutane);2-methylpropylbenzene;2-(2-methylpropyl)furan;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)thiophene;oxolane;pyrrolidine;thiolane is sourced from PubChem (CID 159487473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).