[(3aS,4R,6aR)-2,2-dimethyl-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]dioxol-4-yl]methoxy-tert-butyl-dimethylsilane;(3aS,4R,5S,6aR)-4-ethyl-2,2-dimethyl-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]dioxole 5-oxide;methane

C24H48O6S2Si — CID 159029207

About [(3aS,4R,6aR)-2,2-dimethyl-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]dioxol-4-yl]methoxy-tert-butyl-dimethylsilane;(3aS,4R,5S,6aR)-4-ethyl-2,2-dimethyl-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]dioxole 5-oxide;methane

[(3aS,4R,6aR)-2,2-dimethyl-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]dioxol-4-yl]methoxy-tert-butyl-dimethylsilane;(3aS,4R,5S,6aR)-4-ethyl-2,2-dimethyl-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]dioxole 5-oxide;methane (PubChem CID 159029207) has the molecular formula C24H48O6S2Si and a molecular weight of 524.86 g/mol. Its IUPAC name is [(3aS,4R,6aR)-2,2-dimethyl-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]dioxol-4-yl]methoxy-tert-butyl-dimethylsilane;(3aS,4R,5S,6aR)-4-ethyl-2,2-dimethyl-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]dioxole 5-oxide;methane.

Molecular Properties

• Compound Name: [(3aS,4R,6aR)-2,2-dimethyl-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]dioxol-4-yl]methoxy-tert-butyl-dimethylsilane;(3aS,4R,5S,6aR)-4-ethyl-2,2-dimethyl-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]dioxole 5-oxide;methane
• PubChem CID: 159029207
• Molecular Formula: C24H48O6S2Si
• Molecular Weight: 524.86 g/mol
• Exact Mass: 524.27
• IUPAC Name: [(3aS,4R,6aR)-2,2-dimethyl-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]dioxol-4-yl]methoxy-tert-butyl-dimethylsilane;(3aS,4R,5S,6aR)-4-ethyl-2,2-dimethyl-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]dioxole 5-oxide;methane
• SMILES: C.CC1(C)O[C@H]2[C@H](CS[C@@H]2CO[Si](C)(C)C(C)(C)C)O1.CC[C@@H]1[C@H]2OC(C)(C)O[C@H]2C[S@@]1=O
• InChI: InChI=1S/C14H28O3SSi.C9H16O3S.CH4/c1-13(2,3)19(6,7)15-8-11-12-10(9-18-11)16-14(4,5)17-12;1-4-7-8-6(5-13(7)10)11-9(2,3)12-8;/h10-12H,8-9H2,1-7H3;6-8H,4-5H2,1-3H3;1H4/t10-,11+,12-;6-,7+,8-,13-;/m00./s1
• InChIKey: JUQWDTDHERVYHT-ZHUSEYTRSA-N
• XLogP: 5.33
• TPSA: 63.22 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	524.86
LogP ≤ 5	5.33
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(3aS,4R,6aR)-2,2-dimethyl-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]dioxol-4-yl]methoxy-tert-butyl-dimethylsilane;(3aS,4R,5S,6aR)-4-ethyl-2,2-dimethyl-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]dioxole 5-oxide;methane?

The IUPAC name of [(3aS,4R,6aR)-2,2-dimethyl-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]dioxol-4-yl]methoxy-tert-butyl-dimethylsilane;(3aS,4R,5S,6aR)-4-ethyl-2,2-dimethyl-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]dioxole 5-oxide;methane (CID 159029207) is [(3aS,4R,6aR)-2,2-dimethyl-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]dioxol-4-yl]methoxy-tert-butyl-dimethylsilane;(3aS,4R,5S,6aR)-4-ethyl-2,2-dimethyl-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]dioxole 5-oxide;methane.

What is the SMILES notation for [(3aS,4R,6aR)-2,2-dimethyl-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]dioxol-4-yl]methoxy-tert-butyl-dimethylsilane;(3aS,4R,5S,6aR)-4-ethyl-2,2-dimethyl-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]dioxole 5-oxide;methane?

The canonical SMILES for [(3aS,4R,6aR)-2,2-dimethyl-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]dioxol-4-yl]methoxy-tert-butyl-dimethylsilane;(3aS,4R,5S,6aR)-4-ethyl-2,2-dimethyl-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]dioxole 5-oxide;methane is C.CC1(C)O[C@H]2[C@H](CS[C@@H]2CO[Si](C)(C)C(C)(C)C)O1.CC[C@@H]1[C@H]2OC(C)(C)O[C@H]2C[S@@]1=O.

What is the InChIKey of [(3aS,4R,6aR)-2,2-dimethyl-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]dioxol-4-yl]methoxy-tert-butyl-dimethylsilane;(3aS,4R,5S,6aR)-4-ethyl-2,2-dimethyl-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]dioxole 5-oxide;methane?

The InChIKey is JUQWDTDHERVYHT-ZHUSEYTRSA-N. The full InChI is InChI=1S/C14H28O3SSi.C9H16O3S.CH4/c1-13(2,3)19(6,7)15-8-11-12-10(9-18-11)16-14(4,5)17-12;1-4-7-8-6(5-13(7)10)11-9(2,3)12-8;/h10-12H,8-9H2,1-7H3;6-8H,4-5H2,1-3H3;1H4/t10-,11+,12-;6-,7+,8-,13-;/m00./s1.

What are the key properties of [(3aS,4R,6aR)-2,2-dimethyl-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]dioxol-4-yl]methoxy-tert-butyl-dimethylsilane;(3aS,4R,5S,6aR)-4-ethyl-2,2-dimethyl-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]dioxole 5-oxide;methane?

[(3aS,4R,6aR)-2,2-dimethyl-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]dioxol-4-yl]methoxy-tert-butyl-dimethylsilane;(3aS,4R,5S,6aR)-4-ethyl-2,2-dimethyl-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]dioxole 5-oxide;methane has a molecular weight of 524.86 g/mol, XLogP of 5.33, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [(3aS,4R,6aR)-2,2-dimethyl-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]dioxol-4-yl]methoxy-tert-butyl-dimethylsilane;(3aS,4R,5S,6aR)-4-ethyl-2,2-dimethyl-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]dioxole 5-oxide;methane is sourced from PubChem (CID 159029207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).