4,6-diethyl-2,3,3a,4,6,6a-hexahydrothieno[2,3-c]furan;1,3-diethyl-4,4-dimethyl-3,3a,6,6a-tetrahydro-1H-thieno[3,4-c]furan;2,5-diethyl-3-(2-methyl-1,3-dithiolan-2-yl)oxolane;1,3-diethyl-2-oxa-6,10-dithiaspiro[4.5]decane;6,8-diethyl-7-oxa-1,4-dithiaspiro[4.4]nonane;1,3-diethylspiro[3,3a,6,6a-tetrahydro-1H-thieno[3,4-c]furan-4,1'-cyclopentane]

C69H124O6S9 — CID 160881976

About 4,6-diethyl-2,3,3a,4,6,6a-hexahydrothieno[2,3-c]furan;1,3-diethyl-4,4-dimethyl-3,3a,6,6a-tetrahydro-1H-thieno[3,4-c]furan;2,5-diethyl-3-(2-methyl-1,3-dithiolan-2-yl)oxolane;1,3-diethyl-2-oxa-6,10-dithiaspiro[4.5]decane;6,8-diethyl-7-oxa-1,4-dithiaspiro[4.4]nonane;1,3-diethylspiro[3,3a,6,6a-tetrahydro-1H-thieno[3,4-c]furan-4,1'-cyclopentane]

4,6-diethyl-2,3,3a,4,6,6a-hexahydrothieno[2,3-c]furan;1,3-diethyl-4,4-dimethyl-3,3a,6,6a-tetrahydro-1H-thieno[3,4-c]furan;2,5-diethyl-3-(2-methyl-1,3-dithiolan-2-yl)oxolane;1,3-diethyl-2-oxa-6,10-dithiaspiro[4.5]decane;6,8-diethyl-7-oxa-1,4-dithiaspiro[4.4]nonane;1,3-diethylspiro[3,3a,6,6a-tetrahydro-1H-thieno[3,4-c]furan-4,1'-cyclopentane] (PubChem CID 160881976) has the molecular formula C69H124O6S9 and a molecular weight of 1338.35 g/mol. Its IUPAC name is 4,6-diethyl-2,3,3a,4,6,6a-hexahydrothieno[2,3-c]furan;1,3-diethyl-4,4-dimethyl-3,3a,6,6a-tetrahydro-1H-thieno[3,4-c]furan;2,5-diethyl-3-(2-methyl-1,3-dithiolan-2-yl)oxolane;1,3-diethyl-2-oxa-6,10-dithiaspiro[4.5]decane;6,8-diethyl-7-oxa-1,4-dithiaspiro[4.4]nonane;1,3-diethylspiro[3,3a,6,6a-tetrahydro-1H-thieno[3,4-c]furan-4,1'-cyclopentane].

Molecular Properties

• Compound Name: 4,6-diethyl-2,3,3a,4,6,6a-hexahydrothieno[2,3-c]furan;1,3-diethyl-4,4-dimethyl-3,3a,6,6a-tetrahydro-1H-thieno[3,4-c]furan;2,5-diethyl-3-(2-methyl-1,3-dithiolan-2-yl)oxolane;1,3-diethyl-2-oxa-6,10-dithiaspiro[4.5]decane;6,8-diethyl-7-oxa-1,4-dithiaspiro[4.4]nonane;1,3-diethylspiro[3,3a,6,6a-tetrahydro-1H-thieno[3,4-c]furan-4,1'-cyclopentane]
• PubChem CID: 160881976
• Molecular Formula: C69H124O6S9
• Molecular Weight: 1338.35 g/mol
• Exact Mass: 1336.69
• IUPAC Name: 4,6-diethyl-2,3,3a,4,6,6a-hexahydrothieno[2,3-c]furan;1,3-diethyl-4,4-dimethyl-3,3a,6,6a-tetrahydro-1H-thieno[3,4-c]furan;2,5-diethyl-3-(2-methyl-1,3-dithiolan-2-yl)oxolane;1,3-diethyl-2-oxa-6,10-dithiaspiro[4.5]decane;6,8-diethyl-7-oxa-1,4-dithiaspiro[4.4]nonane;1,3-diethylspiro[3,3a,6,6a-tetrahydro-1H-thieno[3,4-c]furan-4,1'-cyclopentane]
• SMILES: CCC1CC(C2(C)SCCS2)C(CC)O1.CCC1CC2(SCCCS2)C(CC)O1.CCC1CC2(SCCS2)C(CC)O1.CCC1OC(CC)C2C1CSC2(C)C.CCC1OC(CC)C2C1CSC21CCCC1.CCC1OC(CC)C2SCCC12
• InChI: InChI=1S/C14H24OS.C12H22OS2.C12H22OS.C11H20OS2.C10H18OS2.C10H18OS/c1-3-11-10-9-16-14(7-5-6-8-14)13(10)12(4-2)15-11;1-4-9-8-10(11(5-2)13-9)12(3)14-6-7-15-12;1-5-9-8-7-14-12(3,4)11(8)10(6-2)13-9;1-3-9-8-11(10(4-2)12-9)13-6-5-7-14-11;1-3-8-7-10(9(4-2)11-8)12-5-6-13-10;1-3-8-7-5-6-12-10(7)9(4-2)11-8/h10-13H,3-9H2,1-2H3;9-11H,4-8H2,1-3H3;8-11H,5-7H2,1-4H3;9-10H,3-8H2,1-2H3;8-9H,3-7H2,1-2H3;7-10H,3-6H2,1-2H3
• InChIKey: SNDQCTATLXBTGL-UHFFFAOYSA-N
• XLogP: 20.34
• TPSA: 55.38 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 13
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1338.35
LogP ≤ 5	20.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of 4,6-diethyl-2,3,3a,4,6,6a-hexahydrothieno[2,3-c]furan;1,3-diethyl-4,4-dimethyl-3,3a,6,6a-tetrahydro-1H-thieno[3,4-c]furan;2,5-diethyl-3-(2-methyl-1,3-dithiolan-2-yl)oxolane;1,3-diethyl-2-oxa-6,10-dithiaspiro[4.5]decane;6,8-diethyl-7-oxa-1,4-dithiaspiro[4.4]nonane;1,3-diethylspiro[3,3a,6,6a-tetrahydro-1H-thieno[3,4-c]furan-4,1'-cyclopentane]?

The IUPAC name of 4,6-diethyl-2,3,3a,4,6,6a-hexahydrothieno[2,3-c]furan;1,3-diethyl-4,4-dimethyl-3,3a,6,6a-tetrahydro-1H-thieno[3,4-c]furan;2,5-diethyl-3-(2-methyl-1,3-dithiolan-2-yl)oxolane;1,3-diethyl-2-oxa-6,10-dithiaspiro[4.5]decane;6,8-diethyl-7-oxa-1,4-dithiaspiro[4.4]nonane;1,3-diethylspiro[3,3a,6,6a-tetrahydro-1H-thieno[3,4-c]furan-4,1'-cyclopentane] (CID 160881976) is 4,6-diethyl-2,3,3a,4,6,6a-hexahydrothieno[2,3-c]furan;1,3-diethyl-4,4-dimethyl-3,3a,6,6a-tetrahydro-1H-thieno[3,4-c]furan;2,5-diethyl-3-(2-methyl-1,3-dithiolan-2-yl)oxolane;1,3-diethyl-2-oxa-6,10-dithiaspiro[4.5]decane;6,8-diethyl-7-oxa-1,4-dithiaspiro[4.4]nonane;1,3-diethylspiro[3,3a,6,6a-tetrahydro-1H-thieno[3,4-c]furan-4,1'-cyclopentane].

What is the SMILES notation for 4,6-diethyl-2,3,3a,4,6,6a-hexahydrothieno[2,3-c]furan;1,3-diethyl-4,4-dimethyl-3,3a,6,6a-tetrahydro-1H-thieno[3,4-c]furan;2,5-diethyl-3-(2-methyl-1,3-dithiolan-2-yl)oxolane;1,3-diethyl-2-oxa-6,10-dithiaspiro[4.5]decane;6,8-diethyl-7-oxa-1,4-dithiaspiro[4.4]nonane;1,3-diethylspiro[3,3a,6,6a-tetrahydro-1H-thieno[3,4-c]furan-4,1'-cyclopentane]?

The canonical SMILES for 4,6-diethyl-2,3,3a,4,6,6a-hexahydrothieno[2,3-c]furan;1,3-diethyl-4,4-dimethyl-3,3a,6,6a-tetrahydro-1H-thieno[3,4-c]furan;2,5-diethyl-3-(2-methyl-1,3-dithiolan-2-yl)oxolane;1,3-diethyl-2-oxa-6,10-dithiaspiro[4.5]decane;6,8-diethyl-7-oxa-1,4-dithiaspiro[4.4]nonane;1,3-diethylspiro[3,3a,6,6a-tetrahydro-1H-thieno[3,4-c]furan-4,1'-cyclopentane] is CCC1CC(C2(C)SCCS2)C(CC)O1.CCC1CC2(SCCCS2)C(CC)O1.CCC1CC2(SCCS2)C(CC)O1.CCC1OC(CC)C2C1CSC2(C)C.CCC1OC(CC)C2C1CSC21CCCC1.CCC1OC(CC)C2SCCC12.

What is the InChIKey of 4,6-diethyl-2,3,3a,4,6,6a-hexahydrothieno[2,3-c]furan;1,3-diethyl-4,4-dimethyl-3,3a,6,6a-tetrahydro-1H-thieno[3,4-c]furan;2,5-diethyl-3-(2-methyl-1,3-dithiolan-2-yl)oxolane;1,3-diethyl-2-oxa-6,10-dithiaspiro[4.5]decane;6,8-diethyl-7-oxa-1,4-dithiaspiro[4.4]nonane;1,3-diethylspiro[3,3a,6,6a-tetrahydro-1H-thieno[3,4-c]furan-4,1'-cyclopentane]?

The InChIKey is SNDQCTATLXBTGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24OS.C12H22OS2.C12H22OS.C11H20OS2.C10H18OS2.C10H18OS/c1-3-11-10-9-16-14(7-5-6-8-14)13(10)12(4-2)15-11;1-4-9-8-10(11(5-2)13-9)12(3)14-6-7-15-12;1-5-9-8-7-14-12(3,4)11(8)10(6-2)13-9;1-3-9-8-11(10(4-2)12-9)13-6-5-7-14-11;1-3-8-7-10(9(4-2)11-8)12-5-6-13-10;1-3-8-7-5-6-12-10(7)9(4-2)11-8/h10-13H,3-9H2,1-2H3;9-11H,4-8H2,1-3H3;8-11H,5-7H2,1-4H3;9-10H,3-8H2,1-2H3;8-9H,3-7H2,1-2H3;7-10H,3-6H2,1-2H3.

What are the key properties of 4,6-diethyl-2,3,3a,4,6,6a-hexahydrothieno[2,3-c]furan;1,3-diethyl-4,4-dimethyl-3,3a,6,6a-tetrahydro-1H-thieno[3,4-c]furan;2,5-diethyl-3-(2-methyl-1,3-dithiolan-2-yl)oxolane;1,3-diethyl-2-oxa-6,10-dithiaspiro[4.5]decane;6,8-diethyl-7-oxa-1,4-dithiaspiro[4.4]nonane;1,3-diethylspiro[3,3a,6,6a-tetrahydro-1H-thieno[3,4-c]furan-4,1'-cyclopentane]?

4,6-diethyl-2,3,3a,4,6,6a-hexahydrothieno[2,3-c]furan;1,3-diethyl-4,4-dimethyl-3,3a,6,6a-tetrahydro-1H-thieno[3,4-c]furan;2,5-diethyl-3-(2-methyl-1,3-dithiolan-2-yl)oxolane;1,3-diethyl-2-oxa-6,10-dithiaspiro[4.5]decane;6,8-diethyl-7-oxa-1,4-dithiaspiro[4.4]nonane;1,3-diethylspiro[3,3a,6,6a-tetrahydro-1H-thieno[3,4-c]furan-4,1'-cyclopentane] has a molecular weight of 1338.35 g/mol, XLogP of 20.34, 13 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 4,6-diethyl-2,3,3a,4,6,6a-hexahydrothieno[2,3-c]furan;1,3-diethyl-4,4-dimethyl-3,3a,6,6a-tetrahydro-1H-thieno[3,4-c]furan;2,5-diethyl-3-(2-methyl-1,3-dithiolan-2-yl)oxolane;1,3-diethyl-2-oxa-6,10-dithiaspiro[4.5]decane;6,8-diethyl-7-oxa-1,4-dithiaspiro[4.4]nonane;1,3-diethylspiro[3,3a,6,6a-tetrahydro-1H-thieno[3,4-c]furan-4,1'-cyclopentane] is sourced from PubChem (CID 160881976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).