tert-butyl-[(3R,4R,5R,6R)-6-[(3,4-dimethoxyphenyl)methoxy]-3,5-dimethylhept-1-en-4-yl]oxy-dimethylsilane

C24H42O4Si — CID 11811908

About tert-butyl-[(3R,4R,5R,6R)-6-[(3,4-dimethoxyphenyl)methoxy]-3,5-dimethylhept-1-en-4-yl]oxy-dimethylsilane

tert-butyl-[(3R,4R,5R,6R)-6-[(3,4-dimethoxyphenyl)methoxy]-3,5-dimethylhept-1-en-4-yl]oxy-dimethylsilane (PubChem CID 11811908) has the molecular formula C24H42O4Si and a molecular weight of 422.68 g/mol. Its IUPAC name is tert-butyl-[(3R,4R,5R,6R)-6-[(3,4-dimethoxyphenyl)methoxy]-3,5-dimethylhept-1-en-4-yl]oxy-dimethylsilane.

Molecular Properties

• Compound Name: tert-butyl-[(3R,4R,5R,6R)-6-[(3,4-dimethoxyphenyl)methoxy]-3,5-dimethylhept-1-en-4-yl]oxy-dimethylsilane
• PubChem CID: 11811908
• Molecular Formula: C24H42O4Si
• Molecular Weight: 422.68 g/mol
• Exact Mass: 422.29
• IUPAC Name: tert-butyl-[(3R,4R,5R,6R)-6-[(3,4-dimethoxyphenyl)methoxy]-3,5-dimethylhept-1-en-4-yl]oxy-dimethylsilane
• SMILES: C=C[C@@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)C(C)[C@@H](C)OCc1ccc(OC)c(OC)c1
• InChI: InChI=1S/C24H42O4Si/c1-12-17(2)23(28-29(10,11)24(5,6)7)18(3)19(4)27-16-20-13-14-21(25-8)22(15-20)26-9/h12-15,17-19,23H,1,16H2,2-11H3/t17-,18?,19-,23-/m1/s1
• InChIKey: YBJNEOUJARLOSG-ZGXRDTPRSA-N
• XLogP: 6.46
• TPSA: 36.92 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 11
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	422.68
LogP ≤ 5	6.46
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(3R,4R,5R,6R)-6-[(3,4-dimethoxyphenyl)methoxy]-3,5-dimethylhept-1-en-4-yl]oxy-dimethylsilane?

The IUPAC name of tert-butyl-[(3R,4R,5R,6R)-6-[(3,4-dimethoxyphenyl)methoxy]-3,5-dimethylhept-1-en-4-yl]oxy-dimethylsilane (CID 11811908) is tert-butyl-[(3R,4R,5R,6R)-6-[(3,4-dimethoxyphenyl)methoxy]-3,5-dimethylhept-1-en-4-yl]oxy-dimethylsilane.

What is the SMILES notation for tert-butyl-[(3R,4R,5R,6R)-6-[(3,4-dimethoxyphenyl)methoxy]-3,5-dimethylhept-1-en-4-yl]oxy-dimethylsilane?

The canonical SMILES for tert-butyl-[(3R,4R,5R,6R)-6-[(3,4-dimethoxyphenyl)methoxy]-3,5-dimethylhept-1-en-4-yl]oxy-dimethylsilane is C=C[C@@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)C(C)[C@@H](C)OCc1ccc(OC)c(OC)c1.

What is the InChIKey of tert-butyl-[(3R,4R,5R,6R)-6-[(3,4-dimethoxyphenyl)methoxy]-3,5-dimethylhept-1-en-4-yl]oxy-dimethylsilane?

The InChIKey is YBJNEOUJARLOSG-ZGXRDTPRSA-N. The full InChI is InChI=1S/C24H42O4Si/c1-12-17(2)23(28-29(10,11)24(5,6)7)18(3)19(4)27-16-20-13-14-21(25-8)22(15-20)26-9/h12-15,17-19,23H,1,16H2,2-11H3/t17-,18?,19-,23-/m1/s1.

What are the key properties of tert-butyl-[(3R,4R,5R,6R)-6-[(3,4-dimethoxyphenyl)methoxy]-3,5-dimethylhept-1-en-4-yl]oxy-dimethylsilane?

tert-butyl-[(3R,4R,5R,6R)-6-[(3,4-dimethoxyphenyl)methoxy]-3,5-dimethylhept-1-en-4-yl]oxy-dimethylsilane has a molecular weight of 422.68 g/mol, XLogP of 6.46, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-[(3R,4R,5R,6R)-6-[(3,4-dimethoxyphenyl)methoxy]-3,5-dimethylhept-1-en-4-yl]oxy-dimethylsilane is sourced from PubChem (CID 11811908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).