7-methoxy-6-[4-methoxy-6-[tri(propan-2-yl)silyloxymethyl]-1,3-benzodioxol-5-yl]-1,3-benzodioxole-5-carbaldehyde

C27H36O8Si — CID 25034229

About 7-methoxy-6-[4-methoxy-6-[tri(propan-2-yl)silyloxymethyl]-1,3-benzodioxol-5-yl]-1,3-benzodioxole-5-carbaldehyde

7-methoxy-6-[4-methoxy-6-[tri(propan-2-yl)silyloxymethyl]-1,3-benzodioxol-5-yl]-1,3-benzodioxole-5-carbaldehyde (PubChem CID 25034229) has the molecular formula C27H36O8Si and a molecular weight of 516.66 g/mol. Its IUPAC name is 7-methoxy-6-[4-methoxy-6-[tri(propan-2-yl)silyloxymethyl]-1,3-benzodioxol-5-yl]-1,3-benzodioxole-5-carbaldehyde.

Molecular Properties

• Compound Name: 7-methoxy-6-[4-methoxy-6-[tri(propan-2-yl)silyloxymethyl]-1,3-benzodioxol-5-yl]-1,3-benzodioxole-5-carbaldehyde
• PubChem CID: 25034229
• Molecular Formula: C27H36O8Si
• Molecular Weight: 516.66 g/mol
• Exact Mass: 516.22
• IUPAC Name: 7-methoxy-6-[4-methoxy-6-[tri(propan-2-yl)silyloxymethyl]-1,3-benzodioxol-5-yl]-1,3-benzodioxole-5-carbaldehyde
• SMILES: COc1c2c(cc(C=O)c1-c1c(CO[Si](C(C)C)(C(C)C)C(C)C)cc3c(c1OC)OCO3)OCO2
• InChI: InChI=1S/C27H36O8Si/c1-15(2)36(16(3)4,17(5)6)35-12-19-10-21-25(34-14-32-21)27(30-8)23(19)22-18(11-28)9-20-24(26(22)29-7)33-13-31-20/h9-11,15-17H,12-14H2,1-8H3
• InChIKey: NGBUZXNQGGCDBD-UHFFFAOYSA-N
• XLogP: 6.33
• TPSA: 81.68 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	516.66
LogP ≤ 5	6.33
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-6-[4-methoxy-6-[tri(propan-2-yl)silyloxymethyl]-1,3-benzodioxol-5-yl]-1,3-benzodioxole-5-carbaldehyde?

The IUPAC name of 7-methoxy-6-[4-methoxy-6-[tri(propan-2-yl)silyloxymethyl]-1,3-benzodioxol-5-yl]-1,3-benzodioxole-5-carbaldehyde (CID 25034229) is 7-methoxy-6-[4-methoxy-6-[tri(propan-2-yl)silyloxymethyl]-1,3-benzodioxol-5-yl]-1,3-benzodioxole-5-carbaldehyde.

What is the SMILES notation for 7-methoxy-6-[4-methoxy-6-[tri(propan-2-yl)silyloxymethyl]-1,3-benzodioxol-5-yl]-1,3-benzodioxole-5-carbaldehyde?

The canonical SMILES for 7-methoxy-6-[4-methoxy-6-[tri(propan-2-yl)silyloxymethyl]-1,3-benzodioxol-5-yl]-1,3-benzodioxole-5-carbaldehyde is COc1c2c(cc(C=O)c1-c1c(CO[Si](C(C)C)(C(C)C)C(C)C)cc3c(c1OC)OCO3)OCO2.

What is the InChIKey of 7-methoxy-6-[4-methoxy-6-[tri(propan-2-yl)silyloxymethyl]-1,3-benzodioxol-5-yl]-1,3-benzodioxole-5-carbaldehyde?

The InChIKey is NGBUZXNQGGCDBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36O8Si/c1-15(2)36(16(3)4,17(5)6)35-12-19-10-21-25(34-14-32-21)27(30-8)23(19)22-18(11-28)9-20-24(26(22)29-7)33-13-31-20/h9-11,15-17H,12-14H2,1-8H3.

What are the key properties of 7-methoxy-6-[4-methoxy-6-[tri(propan-2-yl)silyloxymethyl]-1,3-benzodioxol-5-yl]-1,3-benzodioxole-5-carbaldehyde?

7-methoxy-6-[4-methoxy-6-[tri(propan-2-yl)silyloxymethyl]-1,3-benzodioxol-5-yl]-1,3-benzodioxole-5-carbaldehyde has a molecular weight of 516.66 g/mol, XLogP of 6.33, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 7-methoxy-6-[4-methoxy-6-[tri(propan-2-yl)silyloxymethyl]-1,3-benzodioxol-5-yl]-1,3-benzodioxole-5-carbaldehyde is sourced from PubChem (CID 25034229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).