[(1S,3aR,8aS)-1,2,3,3a,4,5,6,8a-octahydroazulen-1-yl]oxy-triethylsilane

C16H30OSi — CID 101243618

IUPAC[(1S,3aR,8aS)-1,2,3,3a,4,5,6,8a-octahydroazulen-1-yl]oxy-triethylsilane
SMILESCC[Si](CC)(CC)O[C@H]1CC[C@H]2CCCC=C[C@H]21
InChIInChI=1S/C16H30OSi/c1-4-18(5-2,6-3)17-16-13-12-14-10-8-7-9-11-15(14)16/h9,11,14-16H,4-8,10,12-13H2,1-3H3/t14-,15-,16+/m1/s1
InChIKeyLYPVOYGPWTVRQE-OAGGEKHMSA-N
MW266.50 g/mol
LogP5.14
Rot. Bonds5

About [(1S,3aR,8aS)-1,2,3,3a,4,5,6,8a-octahydroazulen-1-yl]oxy-triethylsilane

[(1S,3aR,8aS)-1,2,3,3a,4,5,6,8a-octahydroazulen-1-yl]oxy-triethylsilane (PubChem CID 101243618) has the molecular formula C16H30OSi and a molecular weight of 266.50 g/mol. Its IUPAC name is [(1S,3aR,8aS)-1,2,3,3a,4,5,6,8a-octahydroazulen-1-yl]oxy-triethylsilane.

Molecular Properties

Compound Name[(1S,3aR,8aS)-1,2,3,3a,4,5,6,8a-octahydroazulen-1-yl]oxy-triethylsilane
PubChem CID101243618
Molecular FormulaC16H30OSi
Molecular Weight266.50 g/mol
Exact Mass266.21
IUPAC Name[(1S,3aR,8aS)-1,2,3,3a,4,5,6,8a-octahydroazulen-1-yl]oxy-triethylsilane
SMILESCC[Si](CC)(CC)O[C@H]1CC[C@H]2CCCC=C[C@H]21
InChIInChI=1S/C16H30OSi/c1-4-18(5-2,6-3)17-16-13-12-14-10-8-7-9-11-15(14)16/h9,11,14-16H,4-8,10,12-13H2,1-3H3/t14-,15-,16+/m1/s1
InChIKeyLYPVOYGPWTVRQE-OAGGEKHMSA-N
XLogP5.14
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.50
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze [(1S,3aR,8aS)-1,2,3,3a,4,5,6,8a-octahydroazulen-1-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 [(1S,3aR,8aS)-1,2,3,3a,4,5,6,8a-octahydroazulen-1-yl]oxy-triethylsilane?
The IUPAC name of [(1S,3aR,8aS)-1,2,3,3a,4,5,6,8a-octahydroazulen-1-yl]oxy-triethylsilane (CID 101243618) is [(1S,3aR,8aS)-1,2,3,3a,4,5,6,8a-octahydroazulen-1-yl]oxy-triethylsilane.
What is the SMILES notation for [(1S,3aR,8aS)-1,2,3,3a,4,5,6,8a-octahydroazulen-1-yl]oxy-triethylsilane?
The canonical SMILES for [(1S,3aR,8aS)-1,2,3,3a,4,5,6,8a-octahydroazulen-1-yl]oxy-triethylsilane is CC[Si](CC)(CC)O[C@H]1CC[C@H]2CCCC=C[C@H]21.
What is the InChIKey of [(1S,3aR,8aS)-1,2,3,3a,4,5,6,8a-octahydroazulen-1-yl]oxy-triethylsilane?
The InChIKey is LYPVOYGPWTVRQE-OAGGEKHMSA-N. The full InChI is InChI=1S/C16H30OSi/c1-4-18(5-2,6-3)17-16-13-12-14-10-8-7-9-11-15(14)16/h9,11,14-16H,4-8,10,12-13H2,1-3H3/t14-,15-,16+/m1/s1.
What are the key properties of [(1S,3aR,8aS)-1,2,3,3a,4,5,6,8a-octahydroazulen-1-yl]oxy-triethylsilane?
[(1S,3aR,8aS)-1,2,3,3a,4,5,6,8a-octahydroazulen-1-yl]oxy-triethylsilane has a molecular weight of 266.50 g/mol, XLogP of 5.14, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,3aR,8aS)-1,2,3,3a,4,5,6,8a-octahydroazulen-1-yl]oxy-triethylsilane is sourced from PubChem (CID 101243618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).