2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;2,3-dihydro-1-benzofuran;2,3-dihydro-1-benzothiophene;3,4-dihydro-2H-chromene;6,7-dihydro-5H-cyclopenta[b]pyridine;5,6-dihydro-4H-cyclopenta[b]thiophene;2,3-dihydrofuro[3,2-b]pyridine;heptakis(2-methylpropane)

C81H130N2O5S2 — CID 158252145

About 2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;2,3-dihydro-1-benzofuran;2,3-dihydro-1-benzothiophene;3,4-dihydro-2H-chromene;6,7-dihydro-5H-cyclopenta[b]pyridine;5,6-dihydro-4H-cyclopenta[b]thiophene;2,3-dihydrofuro[3,2-b]pyridine;heptakis(2-methylpropane)

2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;2,3-dihydro-1-benzofuran;2,3-dihydro-1-benzothiophene;3,4-dihydro-2H-chromene;6,7-dihydro-5H-cyclopenta[b]pyridine;5,6-dihydro-4H-cyclopenta[b]thiophene;2,3-dihydrofuro[3,2-b]pyridine;heptakis(2-methylpropane) (PubChem CID 158252145) has the molecular formula C81H130N2O5S2 and a molecular weight of 1276.07 g/mol. Its IUPAC name is 2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;2,3-dihydro-1-benzofuran;2,3-dihydro-1-benzothiophene;3,4-dihydro-2H-chromene;6,7-dihydro-5H-cyclopenta[b]pyridine;5,6-dihydro-4H-cyclopenta[b]thiophene;2,3-dihydrofuro[3,2-b]pyridine;heptakis(2-methylpropane).

Molecular Properties

• Compound Name: 2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;2,3-dihydro-1-benzofuran;2,3-dihydro-1-benzothiophene;3,4-dihydro-2H-chromene;6,7-dihydro-5H-cyclopenta[b]pyridine;5,6-dihydro-4H-cyclopenta[b]thiophene;2,3-dihydrofuro[3,2-b]pyridine;heptakis(2-methylpropane)
• PubChem CID: 158252145
• Molecular Formula: C81H130N2O5S2
• Molecular Weight: 1276.07 g/mol
• Exact Mass: 1274.94
• IUPAC Name: 2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;2,3-dihydro-1-benzofuran;2,3-dihydro-1-benzothiophene;3,4-dihydro-2H-chromene;6,7-dihydro-5H-cyclopenta[b]pyridine;5,6-dihydro-4H-cyclopenta[b]thiophene;2,3-dihydrofuro[3,2-b]pyridine;heptakis(2-methylpropane)
• SMILES: C1CC2OCCC2O1.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.c1cc2c(s1)CCC2.c1ccc2c(c1)CCCO2.c1ccc2c(c1)CCO2.c1ccc2c(c1)CCS2.c1cnc2c(c1)CCC2.c1cnc2c(c1)OCC2
• InChI: InChI=1S/C9H10O.C8H9N.C8H8O.C8H8S.C7H7NO.C7H8S.C6H10O2.7C4H10/c1-2-6-9-8(4-1)5-3-7-10-9;1-3-7-4-2-6-9-8(7)5-1;2*1-2-4-8-7(3-1)5-6-9-8;1-2-7-6(8-4-1)3-5-9-7;1-2-6-4-5-8-7(6)3-1;1-3-7-6-2-4-8-5(1)6;7*1-4(2)3/h1-2,4,6H,3,5,7H2;2,4,6H,1,3,5H2;2*1-4H,5-6H2;1-2,4H,3,5H2;4-5H,1-3H2;5-6H,1-4H2;7*4H,1-3H3
• InChIKey: GGVQRAPZQVPJOO-UHFFFAOYSA-N
• XLogP: 22.99
• TPSA: 71.93 Ų
• H-Bond Acceptors: 9
• Heavy Atoms: 90
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1276.07
LogP ≤ 5	22.99
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;2,3-dihydro-1-benzofuran;2,3-dihydro-1-benzothiophene;3,4-dihydro-2H-chromene;6,7-dihydro-5H-cyclopenta[b]pyridine;5,6-dihydro-4H-cyclopenta[b]thiophene;2,3-dihydrofuro[3,2-b]pyridine;heptakis(2-methylpropane)?

The IUPAC name of 2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;2,3-dihydro-1-benzofuran;2,3-dihydro-1-benzothiophene;3,4-dihydro-2H-chromene;6,7-dihydro-5H-cyclopenta[b]pyridine;5,6-dihydro-4H-cyclopenta[b]thiophene;2,3-dihydrofuro[3,2-b]pyridine;heptakis(2-methylpropane) (CID 158252145) is 2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;2,3-dihydro-1-benzofuran;2,3-dihydro-1-benzothiophene;3,4-dihydro-2H-chromene;6,7-dihydro-5H-cyclopenta[b]pyridine;5,6-dihydro-4H-cyclopenta[b]thiophene;2,3-dihydrofuro[3,2-b]pyridine;heptakis(2-methylpropane).

What is the SMILES notation for 2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;2,3-dihydro-1-benzofuran;2,3-dihydro-1-benzothiophene;3,4-dihydro-2H-chromene;6,7-dihydro-5H-cyclopenta[b]pyridine;5,6-dihydro-4H-cyclopenta[b]thiophene;2,3-dihydrofuro[3,2-b]pyridine;heptakis(2-methylpropane)?

The canonical SMILES for 2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;2,3-dihydro-1-benzofuran;2,3-dihydro-1-benzothiophene;3,4-dihydro-2H-chromene;6,7-dihydro-5H-cyclopenta[b]pyridine;5,6-dihydro-4H-cyclopenta[b]thiophene;2,3-dihydrofuro[3,2-b]pyridine;heptakis(2-methylpropane) is C1CC2OCCC2O1.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.c1cc2c(s1)CCC2.c1ccc2c(c1)CCCO2.c1ccc2c(c1)CCO2.c1ccc2c(c1)CCS2.c1cnc2c(c1)CCC2.c1cnc2c(c1)OCC2.

What is the InChIKey of 2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;2,3-dihydro-1-benzofuran;2,3-dihydro-1-benzothiophene;3,4-dihydro-2H-chromene;6,7-dihydro-5H-cyclopenta[b]pyridine;5,6-dihydro-4H-cyclopenta[b]thiophene;2,3-dihydrofuro[3,2-b]pyridine;heptakis(2-methylpropane)?

The InChIKey is GGVQRAPZQVPJOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O.C8H9N.C8H8O.C8H8S.C7H7NO.C7H8S.C6H10O2.7C4H10/c1-2-6-9-8(4-1)5-3-7-10-9;1-3-7-4-2-6-9-8(7)5-1;2*1-2-4-8-7(3-1)5-6-9-8;1-2-7-6(8-4-1)3-5-9-7;1-2-6-4-5-8-7(6)3-1;1-3-7-6-2-4-8-5(1)6;7*1-4(2)3/h1-2,4,6H,3,5,7H2;2,4,6H,1,3,5H2;2*1-4H,5-6H2;1-2,4H,3,5H2;4-5H,1-3H2;5-6H,1-4H2;7*4H,1-3H3.

What are the key properties of 2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;2,3-dihydro-1-benzofuran;2,3-dihydro-1-benzothiophene;3,4-dihydro-2H-chromene;6,7-dihydro-5H-cyclopenta[b]pyridine;5,6-dihydro-4H-cyclopenta[b]thiophene;2,3-dihydrofuro[3,2-b]pyridine;heptakis(2-methylpropane)?

2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;2,3-dihydro-1-benzofuran;2,3-dihydro-1-benzothiophene;3,4-dihydro-2H-chromene;6,7-dihydro-5H-cyclopenta[b]pyridine;5,6-dihydro-4H-cyclopenta[b]thiophene;2,3-dihydrofuro[3,2-b]pyridine;heptakis(2-methylpropane) has a molecular weight of 1276.07 g/mol, XLogP of 22.99, 0 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;2,3-dihydro-1-benzofuran;2,3-dihydro-1-benzothiophene;3,4-dihydro-2H-chromene;6,7-dihydro-5H-cyclopenta[b]pyridine;5,6-dihydro-4H-cyclopenta[b]thiophene;2,3-dihydrofuro[3,2-b]pyridine;heptakis(2-methylpropane) is sourced from PubChem (CID 158252145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).