(3S,3aR,6S,6aR)-3,6-dimethyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;bis((3S,3aR,6R,6aR)-3,6-dimethyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan);(3R,3aR,6R,6aR)-3,6-dimethyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;(3R,3aS,6R,6aS)-3,6-dimethyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;methane

C41H74O10 — CID 161227566

About (3S,3aR,6S,6aR)-3,6-dimethyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;bis((3S,3aR,6R,6aR)-3,6-dimethyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan);(3R,3aR,6R,6aR)-3,6-dimethyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;(3R,3aS,6R,6aS)-3,6-dimethyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;methane

(3S,3aR,6S,6aR)-3,6-dimethyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;bis((3S,3aR,6R,6aR)-3,6-dimethyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan);(3R,3aR,6R,6aR)-3,6-dimethyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;(3R,3aS,6R,6aS)-3,6-dimethyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;methane (PubChem CID 161227566) has the molecular formula C41H74O10 and a molecular weight of 727.03 g/mol. Its IUPAC name is (3S,3aR,6S,6aR)-3,6-dimethyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;bis((3S,3aR,6R,6aR)-3,6-dimethyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan);(3R,3aR,6R,6aR)-3,6-dimethyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;(3R,3aS,6R,6aS)-3,6-dimethyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;methane.

Molecular Properties

• Compound Name: (3S,3aR,6S,6aR)-3,6-dimethyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;bis((3S,3aR,6R,6aR)-3,6-dimethyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan);(3R,3aR,6R,6aR)-3,6-dimethyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;(3R,3aS,6R,6aS)-3,6-dimethyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;methane
• PubChem CID: 161227566
• Molecular Formula: C41H74O10
• Molecular Weight: 727.03 g/mol
• Exact Mass: 726.53
• IUPAC Name: (3S,3aR,6S,6aR)-3,6-dimethyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;bis((3S,3aR,6R,6aR)-3,6-dimethyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan);(3R,3aR,6R,6aR)-3,6-dimethyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;(3R,3aS,6R,6aS)-3,6-dimethyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;methane
• SMILES: C.C[C@@H]1CO[C@@H]2[C@H]1OC[C@H]2C.C[C@@H]1CO[C@H]2[C@@H]1OC[C@@H]2C.C[C@@H]1CO[C@H]2[C@@H]1OC[C@@H]2C.C[C@@H]1CO[C@H]2[C@@H]1OC[C@H]2C.C[C@H]1CO[C@H]2[C@@H]1OC[C@@H]2C
• InChI: InChI=1S/5C8H14O2.CH4/c5*1-5-3-9-8-6(2)4-10-7(5)8;/h5*5-8H,3-4H2,1-2H3;1H4/t2*5-,6+,7-,8-;2*5-,6-,7+,8+;5-,6-,7-,8-;/m11101./s1
• InChIKey: UYIBLCWRBMEINQ-OJCADASBSA-N
• XLogP: 5.92
• TPSA: 92.30 Ų
• H-Bond Acceptors: 10
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	727.03
LogP ≤ 5	5.92
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of (3S,3aR,6S,6aR)-3,6-dimethyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;bis((3S,3aR,6R,6aR)-3,6-dimethyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan);(3R,3aR,6R,6aR)-3,6-dimethyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;(3R,3aS,6R,6aS)-3,6-dimethyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;methane?

The IUPAC name of (3S,3aR,6S,6aR)-3,6-dimethyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;bis((3S,3aR,6R,6aR)-3,6-dimethyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan);(3R,3aR,6R,6aR)-3,6-dimethyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;(3R,3aS,6R,6aS)-3,6-dimethyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;methane (CID 161227566) is (3S,3aR,6S,6aR)-3,6-dimethyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;bis((3S,3aR,6R,6aR)-3,6-dimethyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan);(3R,3aR,6R,6aR)-3,6-dimethyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;(3R,3aS,6R,6aS)-3,6-dimethyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;methane.

What is the SMILES notation for (3S,3aR,6S,6aR)-3,6-dimethyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;bis((3S,3aR,6R,6aR)-3,6-dimethyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan);(3R,3aR,6R,6aR)-3,6-dimethyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;(3R,3aS,6R,6aS)-3,6-dimethyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;methane?

The canonical SMILES for (3S,3aR,6S,6aR)-3,6-dimethyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;bis((3S,3aR,6R,6aR)-3,6-dimethyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan);(3R,3aR,6R,6aR)-3,6-dimethyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;(3R,3aS,6R,6aS)-3,6-dimethyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;methane is C.C[C@@H]1CO[C@@H]2[C@H]1OC[C@H]2C.C[C@@H]1CO[C@H]2[C@@H]1OC[C@@H]2C.C[C@@H]1CO[C@H]2[C@@H]1OC[C@@H]2C.C[C@@H]1CO[C@H]2[C@@H]1OC[C@H]2C.C[C@H]1CO[C@H]2[C@@H]1OC[C@@H]2C.

What is the InChIKey of (3S,3aR,6S,6aR)-3,6-dimethyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;bis((3S,3aR,6R,6aR)-3,6-dimethyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan);(3R,3aR,6R,6aR)-3,6-dimethyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;(3R,3aS,6R,6aS)-3,6-dimethyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;methane?

The InChIKey is UYIBLCWRBMEINQ-OJCADASBSA-N. The full InChI is InChI=1S/5C8H14O2.CH4/c5*1-5-3-9-8-6(2)4-10-7(5)8;/h5*5-8H,3-4H2,1-2H3;1H4/t2*5-,6+,7-,8-;2*5-,6-,7+,8+;5-,6-,7-,8-;/m11101./s1.

What are the key properties of (3S,3aR,6S,6aR)-3,6-dimethyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;bis((3S,3aR,6R,6aR)-3,6-dimethyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan);(3R,3aR,6R,6aR)-3,6-dimethyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;(3R,3aS,6R,6aS)-3,6-dimethyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;methane?

(3S,3aR,6S,6aR)-3,6-dimethyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;bis((3S,3aR,6R,6aR)-3,6-dimethyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan);(3R,3aR,6R,6aR)-3,6-dimethyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;(3R,3aS,6R,6aS)-3,6-dimethyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;methane has a molecular weight of 727.03 g/mol, XLogP of 5.92, 0 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for (3S,3aR,6S,6aR)-3,6-dimethyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;bis((3S,3aR,6R,6aR)-3,6-dimethyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan);(3R,3aR,6R,6aR)-3,6-dimethyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;(3R,3aS,6R,6aS)-3,6-dimethyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;methane is sourced from PubChem (CID 161227566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).