[(2S,3R,3aR,4S,8S,8aS)-2-[tert-butyl(diphenyl)silyl]oxy-5-ethoxy-8-(methoxymethoxy)-3,8-dimethyl-2,3,3a,4,7,8a-hexahydro-1H-azulen-4-yl]oxy-triethylsilane

C38H60O5Si2 — CID 11239201

IUPAC[(2S,3R,3aR,4S,8S,8aS)-2-[tert-butyl(diphenyl)silyl]oxy-5-ethoxy-8-(methoxymethoxy)-3,8-dimethyl-2,3,3a,4,7,8a-hexahydro-1H-azulen-4-yl]oxy-triethylsilane
SMILESCCOC1=CC[C@](C)(OCOC)[C@H]2C[C@H](O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)[C@H](C)[C@H]2[C@@H]1O[Si](CC)(CC)CC
InChIInChI=1S/C38H60O5Si2/c1-11-40-33-25-26-38(9,41-28-39-10)32-27-34(29(5)35(32)36(33)43-44(12-2,13-3)14-4)42-45(37(6,7)8,30-21-17-15-18-22-30)31-23-19-16-20-24-31/h15-25,29,32,34-36H,11-14,26-28H2,1-10H3/t29-,32-,34-,35+,36+,38-/m0/s1
InChIKeyQVIMUHCYRJFIKY-QZBLJVFISA-N
MW653.07 g/mol
LogP8.30
Rot. Bonds14

About [(2S,3R,3aR,4S,8S,8aS)-2-[tert-butyl(diphenyl)silyl]oxy-5-ethoxy-8-(methoxymethoxy)-3,8-dimethyl-2,3,3a,4,7,8a-hexahydro-1H-azulen-4-yl]oxy-triethylsilane

[(2S,3R,3aR,4S,8S,8aS)-2-[tert-butyl(diphenyl)silyl]oxy-5-ethoxy-8-(methoxymethoxy)-3,8-dimethyl-2,3,3a,4,7,8a-hexahydro-1H-azulen-4-yl]oxy-triethylsilane (PubChem CID 11239201) has the molecular formula C38H60O5Si2 and a molecular weight of 653.07 g/mol. Its IUPAC name is [(2S,3R,3aR,4S,8S,8aS)-2-[tert-butyl(diphenyl)silyl]oxy-5-ethoxy-8-(methoxymethoxy)-3,8-dimethyl-2,3,3a,4,7,8a-hexahydro-1H-azulen-4-yl]oxy-triethylsilane.

Molecular Properties

Compound Name[(2S,3R,3aR,4S,8S,8aS)-2-[tert-butyl(diphenyl)silyl]oxy-5-ethoxy-8-(methoxymethoxy)-3,8-dimethyl-2,3,3a,4,7,8a-hexahydro-1H-azulen-4-yl]oxy-triethylsilane
PubChem CID11239201
Molecular FormulaC38H60O5Si2
Molecular Weight653.07 g/mol
Exact Mass652.40
IUPAC Name[(2S,3R,3aR,4S,8S,8aS)-2-[tert-butyl(diphenyl)silyl]oxy-5-ethoxy-8-(methoxymethoxy)-3,8-dimethyl-2,3,3a,4,7,8a-hexahydro-1H-azulen-4-yl]oxy-triethylsilane
SMILESCCOC1=CC[C@](C)(OCOC)[C@H]2C[C@H](O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)[C@H](C)[C@H]2[C@@H]1O[Si](CC)(CC)CC
InChIInChI=1S/C38H60O5Si2/c1-11-40-33-25-26-38(9,41-28-39-10)32-27-34(29(5)35(32)36(33)43-44(12-2,13-3)14-4)42-45(37(6,7)8,30-21-17-15-18-22-30)31-23-19-16-20-24-31/h15-25,29,32,34-36H,11-14,26-28H2,1-10H3/t29-,32-,34-,35+,36+,38-/m0/s1
InChIKeyQVIMUHCYRJFIKY-QZBLJVFISA-N
XLogP8.30
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500653.07
LogP ≤ 58.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze [(2S,3R,3aR,4S,8S,8aS)-2-[tert-butyl(diphenyl)silyl]oxy-5-ethoxy-8-(methoxymethoxy)-3,8-dimethyl-2,3,3a,4,7,8a-hexahydro-1H-azulen-4-yl]oxy-triethylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(2S,3R,3aR,4S,8S,8aS)-2-[tert-butyl(diphenyl)silyl]oxy-5-ethoxy-8-(methoxymethoxy)-3,8-dimethyl-2,3,3a,4,7,8a-hexahydro-1H-azulen-4-yl]oxy-triethylsilane?
The IUPAC name of [(2S,3R,3aR,4S,8S,8aS)-2-[tert-butyl(diphenyl)silyl]oxy-5-ethoxy-8-(methoxymethoxy)-3,8-dimethyl-2,3,3a,4,7,8a-hexahydro-1H-azulen-4-yl]oxy-triethylsilane (CID 11239201) is [(2S,3R,3aR,4S,8S,8aS)-2-[tert-butyl(diphenyl)silyl]oxy-5-ethoxy-8-(methoxymethoxy)-3,8-dimethyl-2,3,3a,4,7,8a-hexahydro-1H-azulen-4-yl]oxy-triethylsilane.
What is the SMILES notation for [(2S,3R,3aR,4S,8S,8aS)-2-[tert-butyl(diphenyl)silyl]oxy-5-ethoxy-8-(methoxymethoxy)-3,8-dimethyl-2,3,3a,4,7,8a-hexahydro-1H-azulen-4-yl]oxy-triethylsilane?
The canonical SMILES for [(2S,3R,3aR,4S,8S,8aS)-2-[tert-butyl(diphenyl)silyl]oxy-5-ethoxy-8-(methoxymethoxy)-3,8-dimethyl-2,3,3a,4,7,8a-hexahydro-1H-azulen-4-yl]oxy-triethylsilane is CCOC1=CC[C@](C)(OCOC)[C@H]2C[C@H](O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)[C@H](C)[C@H]2[C@@H]1O[Si](CC)(CC)CC.
What is the InChIKey of [(2S,3R,3aR,4S,8S,8aS)-2-[tert-butyl(diphenyl)silyl]oxy-5-ethoxy-8-(methoxymethoxy)-3,8-dimethyl-2,3,3a,4,7,8a-hexahydro-1H-azulen-4-yl]oxy-triethylsilane?
The InChIKey is QVIMUHCYRJFIKY-QZBLJVFISA-N. The full InChI is InChI=1S/C38H60O5Si2/c1-11-40-33-25-26-38(9,41-28-39-10)32-27-34(29(5)35(32)36(33)43-44(12-2,13-3)14-4)42-45(37(6,7)8,30-21-17-15-18-22-30)31-23-19-16-20-24-31/h15-25,29,32,34-36H,11-14,26-28H2,1-10H3/t29-,32-,34-,35+,36+,38-/m0/s1.
What are the key properties of [(2S,3R,3aR,4S,8S,8aS)-2-[tert-butyl(diphenyl)silyl]oxy-5-ethoxy-8-(methoxymethoxy)-3,8-dimethyl-2,3,3a,4,7,8a-hexahydro-1H-azulen-4-yl]oxy-triethylsilane?
[(2S,3R,3aR,4S,8S,8aS)-2-[tert-butyl(diphenyl)silyl]oxy-5-ethoxy-8-(methoxymethoxy)-3,8-dimethyl-2,3,3a,4,7,8a-hexahydro-1H-azulen-4-yl]oxy-triethylsilane has a molecular weight of 653.07 g/mol, XLogP of 8.30, 14 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R,3aR,4S,8S,8aS)-2-[tert-butyl(diphenyl)silyl]oxy-5-ethoxy-8-(methoxymethoxy)-3,8-dimethyl-2,3,3a,4,7,8a-hexahydro-1H-azulen-4-yl]oxy-triethylsilane is sourced from PubChem (CID 11239201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).