[(1S,3aR,7aS)-1-[tert-butyl(dimethyl)silyl]oxy-4-ethenyl-7a-methyl-1,2,3,3a,6,7-hexahydroinden-5-yl]oxy-triethylsilane

C24H46O2Si2 — CID 46238476

IUPAC[(1S,3aR,7aS)-1-[tert-butyl(dimethyl)silyl]oxy-4-ethenyl-7a-methyl-1,2,3,3a,6,7-hexahydroinden-5-yl]oxy-triethylsilane
SMILESC=CC1=C(O[Si](CC)(CC)CC)CC[C@]2(C)[C@@H](O[Si](C)(C)C(C)(C)C)CC[C@@H]12
InChIInChI=1S/C24H46O2Si2/c1-11-19-20-15-16-22(26-27(9,10)23(5,6)7)24(20,8)18-17-21(19)25-28(12-2,13-3)14-4/h11,20,22H,1,12-18H2,2-10H3/t20-,22-,24-/m0/s1
InChIKeyFTPCOEGLKIJLJL-SSPYTLHUSA-N
MW422.80 g/mol
LogP8.05
Rot. Bonds8

About [(1S,3aR,7aS)-1-[tert-butyl(dimethyl)silyl]oxy-4-ethenyl-7a-methyl-1,2,3,3a,6,7-hexahydroinden-5-yl]oxy-triethylsilane

[(1S,3aR,7aS)-1-[tert-butyl(dimethyl)silyl]oxy-4-ethenyl-7a-methyl-1,2,3,3a,6,7-hexahydroinden-5-yl]oxy-triethylsilane (PubChem CID 46238476) has the molecular formula C24H46O2Si2 and a molecular weight of 422.80 g/mol. Its IUPAC name is [(1S,3aR,7aS)-1-[tert-butyl(dimethyl)silyl]oxy-4-ethenyl-7a-methyl-1,2,3,3a,6,7-hexahydroinden-5-yl]oxy-triethylsilane.

Molecular Properties

Compound Name[(1S,3aR,7aS)-1-[tert-butyl(dimethyl)silyl]oxy-4-ethenyl-7a-methyl-1,2,3,3a,6,7-hexahydroinden-5-yl]oxy-triethylsilane
PubChem CID46238476
Molecular FormulaC24H46O2Si2
Molecular Weight422.80 g/mol
Exact Mass422.30
IUPAC Name[(1S,3aR,7aS)-1-[tert-butyl(dimethyl)silyl]oxy-4-ethenyl-7a-methyl-1,2,3,3a,6,7-hexahydroinden-5-yl]oxy-triethylsilane
SMILESC=CC1=C(O[Si](CC)(CC)CC)CC[C@]2(C)[C@@H](O[Si](C)(C)C(C)(C)C)CC[C@@H]12
InChIInChI=1S/C24H46O2Si2/c1-11-19-20-15-16-22(26-27(9,10)23(5,6)7)24(20,8)18-17-21(19)25-28(12-2,13-3)14-4/h11,20,22H,1,12-18H2,2-10H3/t20-,22-,24-/m0/s1
InChIKeyFTPCOEGLKIJLJL-SSPYTLHUSA-N
XLogP8.05
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.80
LogP ≤ 58.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(1S,3aR,7aS)-1-[tert-butyl(dimethyl)silyl]oxy-4-ethenyl-7a-methyl-1,2,3,3a,6,7-hexahydroinden-5-yl]oxy-triethylsilane?
The IUPAC name of [(1S,3aR,7aS)-1-[tert-butyl(dimethyl)silyl]oxy-4-ethenyl-7a-methyl-1,2,3,3a,6,7-hexahydroinden-5-yl]oxy-triethylsilane (CID 46238476) is [(1S,3aR,7aS)-1-[tert-butyl(dimethyl)silyl]oxy-4-ethenyl-7a-methyl-1,2,3,3a,6,7-hexahydroinden-5-yl]oxy-triethylsilane.
What is the SMILES notation for [(1S,3aR,7aS)-1-[tert-butyl(dimethyl)silyl]oxy-4-ethenyl-7a-methyl-1,2,3,3a,6,7-hexahydroinden-5-yl]oxy-triethylsilane?
The canonical SMILES for [(1S,3aR,7aS)-1-[tert-butyl(dimethyl)silyl]oxy-4-ethenyl-7a-methyl-1,2,3,3a,6,7-hexahydroinden-5-yl]oxy-triethylsilane is C=CC1=C(O[Si](CC)(CC)CC)CC[C@]2(C)[C@@H](O[Si](C)(C)C(C)(C)C)CC[C@@H]12.
What is the InChIKey of [(1S,3aR,7aS)-1-[tert-butyl(dimethyl)silyl]oxy-4-ethenyl-7a-methyl-1,2,3,3a,6,7-hexahydroinden-5-yl]oxy-triethylsilane?
The InChIKey is FTPCOEGLKIJLJL-SSPYTLHUSA-N. The full InChI is InChI=1S/C24H46O2Si2/c1-11-19-20-15-16-22(26-27(9,10)23(5,6)7)24(20,8)18-17-21(19)25-28(12-2,13-3)14-4/h11,20,22H,1,12-18H2,2-10H3/t20-,22-,24-/m0/s1.
What are the key properties of [(1S,3aR,7aS)-1-[tert-butyl(dimethyl)silyl]oxy-4-ethenyl-7a-methyl-1,2,3,3a,6,7-hexahydroinden-5-yl]oxy-triethylsilane?
[(1S,3aR,7aS)-1-[tert-butyl(dimethyl)silyl]oxy-4-ethenyl-7a-methyl-1,2,3,3a,6,7-hexahydroinden-5-yl]oxy-triethylsilane has a molecular weight of 422.80 g/mol, XLogP of 8.05, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,3aR,7aS)-1-[tert-butyl(dimethyl)silyl]oxy-4-ethenyl-7a-methyl-1,2,3,3a,6,7-hexahydroinden-5-yl]oxy-triethylsilane is sourced from PubChem (CID 46238476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).