[(3aR,7aS)-7-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-3a,6,7,7a-tetrahydro-1,3-benzodioxol-4-yl]oxy-tri(propan-2-yl)silane

C24H48O4Si2 — CID 10027086

About [(3aR,7aS)-7-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-3a,6,7,7a-tetrahydro-1,3-benzodioxol-4-yl]oxy-tri(propan-2-yl)silane

[(3aR,7aS)-7-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-3a,6,7,7a-tetrahydro-1,3-benzodioxol-4-yl]oxy-tri(propan-2-yl)silane (PubChem CID 10027086) has the molecular formula C24H48O4Si2 and a molecular weight of 456.82 g/mol. Its IUPAC name is [(3aR,7aS)-7-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-3a,6,7,7a-tetrahydro-1,3-benzodioxol-4-yl]oxy-tri(propan-2-yl)silane.

Molecular Properties

• Compound Name: [(3aR,7aS)-7-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-3a,6,7,7a-tetrahydro-1,3-benzodioxol-4-yl]oxy-tri(propan-2-yl)silane
• PubChem CID: 10027086
• Molecular Formula: C24H48O4Si2
• Molecular Weight: 456.82 g/mol
• Exact Mass: 456.31
• IUPAC Name: [(3aR,7aS)-7-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-3a,6,7,7a-tetrahydro-1,3-benzodioxol-4-yl]oxy-tri(propan-2-yl)silane
• SMILES: CC(C)[Si](OC1=CCC(O[Si](C)(C)C(C)(C)C)[C@H]2OC(C)(C)O[C@@H]12)(C(C)C)C(C)C
• InChI: InChI=1S/C24H48O4Si2/c1-16(2)30(17(3)4,18(5)6)28-20-15-14-19(27-29(12,13)23(7,8)9)21-22(20)26-24(10,11)25-21/h15-19,21-22H,14H2,1-13H3/t19?,21-,22+/m1/s1
• InChIKey: BDKPBLKDJYXSPV-WXPBMIAQSA-N
• XLogP: 7.38
• TPSA: 36.92 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	456.82
LogP ≤ 5	7.38
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(3aR,7aS)-7-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-3a,6,7,7a-tetrahydro-1,3-benzodioxol-4-yl]oxy-tri(propan-2-yl)silane?

The IUPAC name of [(3aR,7aS)-7-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-3a,6,7,7a-tetrahydro-1,3-benzodioxol-4-yl]oxy-tri(propan-2-yl)silane (CID 10027086) is [(3aR,7aS)-7-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-3a,6,7,7a-tetrahydro-1,3-benzodioxol-4-yl]oxy-tri(propan-2-yl)silane.

What is the SMILES notation for [(3aR,7aS)-7-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-3a,6,7,7a-tetrahydro-1,3-benzodioxol-4-yl]oxy-tri(propan-2-yl)silane?

The canonical SMILES for [(3aR,7aS)-7-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-3a,6,7,7a-tetrahydro-1,3-benzodioxol-4-yl]oxy-tri(propan-2-yl)silane is CC(C)[Si](OC1=CCC(O[Si](C)(C)C(C)(C)C)[C@H]2OC(C)(C)O[C@@H]12)(C(C)C)C(C)C.

What is the InChIKey of [(3aR,7aS)-7-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-3a,6,7,7a-tetrahydro-1,3-benzodioxol-4-yl]oxy-tri(propan-2-yl)silane?

The InChIKey is BDKPBLKDJYXSPV-WXPBMIAQSA-N. The full InChI is InChI=1S/C24H48O4Si2/c1-16(2)30(17(3)4,18(5)6)28-20-15-14-19(27-29(12,13)23(7,8)9)21-22(20)26-24(10,11)25-21/h15-19,21-22H,14H2,1-13H3/t19?,21-,22+/m1/s1.

What are the key properties of [(3aR,7aS)-7-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-3a,6,7,7a-tetrahydro-1,3-benzodioxol-4-yl]oxy-tri(propan-2-yl)silane?

[(3aR,7aS)-7-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-3a,6,7,7a-tetrahydro-1,3-benzodioxol-4-yl]oxy-tri(propan-2-yl)silane has a molecular weight of 456.82 g/mol, XLogP of 7.38, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [(3aR,7aS)-7-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-3a,6,7,7a-tetrahydro-1,3-benzodioxol-4-yl]oxy-tri(propan-2-yl)silane is sourced from PubChem (CID 10027086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).