[(1R,3S,4aS,5R,8aR)-3-[tert-butyl(dimethyl)silyl]oxy-1-methyl-5-triethylsilyloxy-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-1-yl]methanol

C24H50O3Si2 — CID 122189278

IUPAC[(1R,3S,4aS,5R,8aR)-3-[tert-butyl(dimethyl)silyl]oxy-1-methyl-5-triethylsilyloxy-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-1-yl]methanol
SMILESCC[Si](CC)(CC)O[C@@H]1CCC[C@@H]2[C@@H]1C[C@H](O[Si](C)(C)C(C)(C)C)C[C@@]2(C)CO
InChIInChI=1S/C24H50O3Si2/c1-10-29(11-2,12-3)27-22-15-13-14-21-20(22)16-19(17-24(21,7)18-25)26-28(8,9)23(4,5)6/h19-22,25H,10-18H2,1-9H3/t19-,20-,21+,22+,24-/m0/s1
InChIKeyHCEBHRBVUGDERV-UQUMJBAASA-N
MW442.83 g/mol
LogP6.98
Rot. Bonds8

About [(1R,3S,4aS,5R,8aR)-3-[tert-butyl(dimethyl)silyl]oxy-1-methyl-5-triethylsilyloxy-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-1-yl]methanol

[(1R,3S,4aS,5R,8aR)-3-[tert-butyl(dimethyl)silyl]oxy-1-methyl-5-triethylsilyloxy-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-1-yl]methanol (PubChem CID 122189278) has the molecular formula C24H50O3Si2 and a molecular weight of 442.83 g/mol. Its IUPAC name is [(1R,3S,4aS,5R,8aR)-3-[tert-butyl(dimethyl)silyl]oxy-1-methyl-5-triethylsilyloxy-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-1-yl]methanol.

Molecular Properties

Compound Name[(1R,3S,4aS,5R,8aR)-3-[tert-butyl(dimethyl)silyl]oxy-1-methyl-5-triethylsilyloxy-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-1-yl]methanol
PubChem CID122189278
Molecular FormulaC24H50O3Si2
Molecular Weight442.83 g/mol
Exact Mass442.33
IUPAC Name[(1R,3S,4aS,5R,8aR)-3-[tert-butyl(dimethyl)silyl]oxy-1-methyl-5-triethylsilyloxy-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-1-yl]methanol
SMILESCC[Si](CC)(CC)O[C@@H]1CCC[C@@H]2[C@@H]1C[C@H](O[Si](C)(C)C(C)(C)C)C[C@@]2(C)CO
InChIInChI=1S/C24H50O3Si2/c1-10-29(11-2,12-3)27-22-15-13-14-21-20(22)16-19(17-24(21,7)18-25)26-28(8,9)23(4,5)6/h19-22,25H,10-18H2,1-9H3/t19-,20-,21+,22+,24-/m0/s1
InChIKeyHCEBHRBVUGDERV-UQUMJBAASA-N
XLogP6.98
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.83
LogP ≤ 56.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [(1R,3S,4aS,5R,8aR)-3-[tert-butyl(dimethyl)silyl]oxy-1-methyl-5-triethylsilyloxy-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-1-yl]methanol 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 [(1R,3S,4aS,5R,8aR)-3-[tert-butyl(dimethyl)silyl]oxy-1-methyl-5-triethylsilyloxy-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-1-yl]methanol?
The IUPAC name of [(1R,3S,4aS,5R,8aR)-3-[tert-butyl(dimethyl)silyl]oxy-1-methyl-5-triethylsilyloxy-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-1-yl]methanol (CID 122189278) is [(1R,3S,4aS,5R,8aR)-3-[tert-butyl(dimethyl)silyl]oxy-1-methyl-5-triethylsilyloxy-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-1-yl]methanol.
What is the SMILES notation for [(1R,3S,4aS,5R,8aR)-3-[tert-butyl(dimethyl)silyl]oxy-1-methyl-5-triethylsilyloxy-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-1-yl]methanol?
The canonical SMILES for [(1R,3S,4aS,5R,8aR)-3-[tert-butyl(dimethyl)silyl]oxy-1-methyl-5-triethylsilyloxy-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-1-yl]methanol is CC[Si](CC)(CC)O[C@@H]1CCC[C@@H]2[C@@H]1C[C@H](O[Si](C)(C)C(C)(C)C)C[C@@]2(C)CO.
What is the InChIKey of [(1R,3S,4aS,5R,8aR)-3-[tert-butyl(dimethyl)silyl]oxy-1-methyl-5-triethylsilyloxy-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-1-yl]methanol?
The InChIKey is HCEBHRBVUGDERV-UQUMJBAASA-N. The full InChI is InChI=1S/C24H50O3Si2/c1-10-29(11-2,12-3)27-22-15-13-14-21-20(22)16-19(17-24(21,7)18-25)26-28(8,9)23(4,5)6/h19-22,25H,10-18H2,1-9H3/t19-,20-,21+,22+,24-/m0/s1.
What are the key properties of [(1R,3S,4aS,5R,8aR)-3-[tert-butyl(dimethyl)silyl]oxy-1-methyl-5-triethylsilyloxy-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-1-yl]methanol?
[(1R,3S,4aS,5R,8aR)-3-[tert-butyl(dimethyl)silyl]oxy-1-methyl-5-triethylsilyloxy-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-1-yl]methanol has a molecular weight of 442.83 g/mol, XLogP of 6.98, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,3S,4aS,5R,8aR)-3-[tert-butyl(dimethyl)silyl]oxy-1-methyl-5-triethylsilyloxy-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-1-yl]methanol is sourced from PubChem (CID 122189278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).