(3aR,5S,6S,6aR)-2,2-dimethyl-5-[(5S)-2,2,3,3-tetrakis(trimethylsilyl)-1,4,2,3-dioxadisilinan-5-yl]-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol

C21H50O6Si6 — CID 134973654

About (3aR,5S,6S,6aR)-2,2-dimethyl-5-[(5S)-2,2,3,3-tetrakis(trimethylsilyl)-1,4,2,3-dioxadisilinan-5-yl]-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol

(3aR,5S,6S,6aR)-2,2-dimethyl-5-[(5S)-2,2,3,3-tetrakis(trimethylsilyl)-1,4,2,3-dioxadisilinan-5-yl]-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol (PubChem CID 134973654) has the molecular formula C21H50O6Si6 and a molecular weight of 567.14 g/mol. Its IUPAC name is (3aR,5S,6S,6aR)-2,2-dimethyl-5-[(5S)-2,2,3,3-tetrakis(trimethylsilyl)-1,4,2,3-dioxadisilinan-5-yl]-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol.

Molecular Properties

• Compound Name: (3aR,5S,6S,6aR)-2,2-dimethyl-5-[(5S)-2,2,3,3-tetrakis(trimethylsilyl)-1,4,2,3-dioxadisilinan-5-yl]-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol
• PubChem CID: 134973654
• Molecular Formula: C21H50O6Si6
• Molecular Weight: 567.14 g/mol
• Exact Mass: 566.22
• IUPAC Name: (3aR,5S,6S,6aR)-2,2-dimethyl-5-[(5S)-2,2,3,3-tetrakis(trimethylsilyl)-1,4,2,3-dioxadisilinan-5-yl]-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol
• SMILES: CC1(C)O[C@H]2O[C@H]([C@@H]3CO[Si]([Si](C)(C)C)([Si](C)(C)C)[Si]([Si](C)(C)C)([Si](C)(C)C)O3)[C@H](O)[C@H]2O1
• InChI: InChI=1S/C21H50O6Si6/c1-21(2)25-19-17(22)18(24-20(19)26-21)16-15-23-32(28(3,4)5,29(6,7)8)33(27-16,30(9,10)11)31(12,13)14/h16-20,22H,15H2,1-14H3/t16-,17-,18+,19+,20+/m0/s1
• InChIKey: XLSDAFFTJLPXMI-CENDIDJXSA-N
• XLogP: 4.27
• TPSA: 66.38 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	567.14
LogP ≤ 5	4.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (3aR,5S,6S,6aR)-2,2-dimethyl-5-[(5S)-2,2,3,3-tetrakis(trimethylsilyl)-1,4,2,3-dioxadisilinan-5-yl]-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol?

The IUPAC name of (3aR,5S,6S,6aR)-2,2-dimethyl-5-[(5S)-2,2,3,3-tetrakis(trimethylsilyl)-1,4,2,3-dioxadisilinan-5-yl]-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol (CID 134973654) is (3aR,5S,6S,6aR)-2,2-dimethyl-5-[(5S)-2,2,3,3-tetrakis(trimethylsilyl)-1,4,2,3-dioxadisilinan-5-yl]-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol.

What is the SMILES notation for (3aR,5S,6S,6aR)-2,2-dimethyl-5-[(5S)-2,2,3,3-tetrakis(trimethylsilyl)-1,4,2,3-dioxadisilinan-5-yl]-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol?

The canonical SMILES for (3aR,5S,6S,6aR)-2,2-dimethyl-5-[(5S)-2,2,3,3-tetrakis(trimethylsilyl)-1,4,2,3-dioxadisilinan-5-yl]-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol is CC1(C)O[C@H]2O[C@H]([C@@H]3CO[Si]([Si](C)(C)C)([Si](C)(C)C)[Si]([Si](C)(C)C)([Si](C)(C)C)O3)[C@H](O)[C@H]2O1.

What is the InChIKey of (3aR,5S,6S,6aR)-2,2-dimethyl-5-[(5S)-2,2,3,3-tetrakis(trimethylsilyl)-1,4,2,3-dioxadisilinan-5-yl]-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol?

The InChIKey is XLSDAFFTJLPXMI-CENDIDJXSA-N. The full InChI is InChI=1S/C21H50O6Si6/c1-21(2)25-19-17(22)18(24-20(19)26-21)16-15-23-32(28(3,4)5,29(6,7)8)33(27-16,30(9,10)11)31(12,13)14/h16-20,22H,15H2,1-14H3/t16-,17-,18+,19+,20+/m0/s1.

What are the key properties of (3aR,5S,6S,6aR)-2,2-dimethyl-5-[(5S)-2,2,3,3-tetrakis(trimethylsilyl)-1,4,2,3-dioxadisilinan-5-yl]-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol?

(3aR,5S,6S,6aR)-2,2-dimethyl-5-[(5S)-2,2,3,3-tetrakis(trimethylsilyl)-1,4,2,3-dioxadisilinan-5-yl]-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol has a molecular weight of 567.14 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (3aR,5S,6S,6aR)-2,2-dimethyl-5-[(5S)-2,2,3,3-tetrakis(trimethylsilyl)-1,4,2,3-dioxadisilinan-5-yl]-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol is sourced from PubChem (CID 134973654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).