tert-butyl-dimethyl-[[3,4,5-trimethoxy-2-[6-(4-methylphenyl)sulfinyl-1,3-benzodioxol-5-yl]phenyl]methoxy]silane

C30H38O7SSi — CID 132538697

About tert-butyl-dimethyl-[[3,4,5-trimethoxy-2-[6-(4-methylphenyl)sulfinyl-1,3-benzodioxol-5-yl]phenyl]methoxy]silane

tert-butyl-dimethyl-[[3,4,5-trimethoxy-2-[6-(4-methylphenyl)sulfinyl-1,3-benzodioxol-5-yl]phenyl]methoxy]silane (PubChem CID 132538697) has the molecular formula C30H38O7SSi and a molecular weight of 570.78 g/mol. Its IUPAC name is tert-butyl-dimethyl-[[3,4,5-trimethoxy-2-[6-(4-methylphenyl)sulfinyl-1,3-benzodioxol-5-yl]phenyl]methoxy]silane.

Molecular Properties

• Compound Name: tert-butyl-dimethyl-[[3,4,5-trimethoxy-2-[6-(4-methylphenyl)sulfinyl-1,3-benzodioxol-5-yl]phenyl]methoxy]silane
• PubChem CID: 132538697
• Molecular Formula: C30H38O7SSi
• Molecular Weight: 570.78 g/mol
• Exact Mass: 570.21
• IUPAC Name: tert-butyl-dimethyl-[[3,4,5-trimethoxy-2-[6-(4-methylphenyl)sulfinyl-1,3-benzodioxol-5-yl]phenyl]methoxy]silane
• SMILES: COc1cc(CO[Si](C)(C)C(C)(C)C)c(-c2cc3c(cc2S(=O)c2ccc(C)cc2)OCO3)c(OC)c1OC
• InChI: InChI=1S/C30H38O7SSi/c1-19-10-12-21(13-11-19)38(31)26-16-24-23(35-18-36-24)15-22(26)27-20(17-37-39(8,9)30(2,3)4)14-25(32-5)28(33-6)29(27)34-7/h10-16H,17-18H2,1-9H3
• InChIKey: GDALKWCWLCFLCU-UHFFFAOYSA-N
• XLogP: 7.11
• TPSA: 72.45 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	570.78
LogP ≤ 5	7.11
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 tert-butyl-dimethyl-[[3,4,5-trimethoxy-2-[6-(4-methylphenyl)sulfinyl-1,3-benzodioxol-5-yl]phenyl]methoxy]silane?

The IUPAC name of tert-butyl-dimethyl-[[3,4,5-trimethoxy-2-[6-(4-methylphenyl)sulfinyl-1,3-benzodioxol-5-yl]phenyl]methoxy]silane (CID 132538697) is tert-butyl-dimethyl-[[3,4,5-trimethoxy-2-[6-(4-methylphenyl)sulfinyl-1,3-benzodioxol-5-yl]phenyl]methoxy]silane.

What is the SMILES notation for tert-butyl-dimethyl-[[3,4,5-trimethoxy-2-[6-(4-methylphenyl)sulfinyl-1,3-benzodioxol-5-yl]phenyl]methoxy]silane?

The canonical SMILES for tert-butyl-dimethyl-[[3,4,5-trimethoxy-2-[6-(4-methylphenyl)sulfinyl-1,3-benzodioxol-5-yl]phenyl]methoxy]silane is COc1cc(CO[Si](C)(C)C(C)(C)C)c(-c2cc3c(cc2S(=O)c2ccc(C)cc2)OCO3)c(OC)c1OC.

What is the InChIKey of tert-butyl-dimethyl-[[3,4,5-trimethoxy-2-[6-(4-methylphenyl)sulfinyl-1,3-benzodioxol-5-yl]phenyl]methoxy]silane?

The InChIKey is GDALKWCWLCFLCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38O7SSi/c1-19-10-12-21(13-11-19)38(31)26-16-24-23(35-18-36-24)15-22(26)27-20(17-37-39(8,9)30(2,3)4)14-25(32-5)28(33-6)29(27)34-7/h10-16H,17-18H2,1-9H3.

What are the key properties of tert-butyl-dimethyl-[[3,4,5-trimethoxy-2-[6-(4-methylphenyl)sulfinyl-1,3-benzodioxol-5-yl]phenyl]methoxy]silane?

tert-butyl-dimethyl-[[3,4,5-trimethoxy-2-[6-(4-methylphenyl)sulfinyl-1,3-benzodioxol-5-yl]phenyl]methoxy]silane has a molecular weight of 570.78 g/mol, XLogP of 7.11, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-dimethyl-[[3,4,5-trimethoxy-2-[6-(4-methylphenyl)sulfinyl-1,3-benzodioxol-5-yl]phenyl]methoxy]silane is sourced from PubChem (CID 132538697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).