tert-butyl-[[(1R,2S,5E,8R)-9-(1-ethoxyethenyl)-6-methyl-11-oxabicyclo[6.2.1]undeca-5,9-dien-2-yl]oxy]-dimethylsilane

C21H36O3Si — CID 50941199

IUPACtert-butyl-[[(1R,2S,5E,8R)-9-(1-ethoxyethenyl)-6-methyl-11-oxabicyclo[6.2.1]undeca-5,9-dien-2-yl]oxy]-dimethylsilane
SMILESC=C(OCC)C1=C[C@H]2O[C@@H]1C/C(C)=C\CC[C@@H]2O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H36O3Si/c1-9-22-16(3)17-14-20-18(24-25(7,8)21(4,5)6)12-10-11-15(2)13-19(17)23-20/h11,14,18-20H,3,9-10,12-13H2,1-2,4-8H3/b15-11-/t18-,19+,20+/m0/s1
InChIKeyZOGYKCFJNOMNOU-AUXUVXAZSA-N
MW364.60 g/mol
LogP5.75
Rot. Bonds5

About tert-butyl-[[(1R,2S,5E,8R)-9-(1-ethoxyethenyl)-6-methyl-11-oxabicyclo[6.2.1]undeca-5,9-dien-2-yl]oxy]-dimethylsilane

tert-butyl-[[(1R,2S,5E,8R)-9-(1-ethoxyethenyl)-6-methyl-11-oxabicyclo[6.2.1]undeca-5,9-dien-2-yl]oxy]-dimethylsilane (PubChem CID 50941199) has the molecular formula C21H36O3Si and a molecular weight of 364.60 g/mol. Its IUPAC name is tert-butyl-[[(1R,2S,5E,8R)-9-(1-ethoxyethenyl)-6-methyl-11-oxabicyclo[6.2.1]undeca-5,9-dien-2-yl]oxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[(1R,2S,5E,8R)-9-(1-ethoxyethenyl)-6-methyl-11-oxabicyclo[6.2.1]undeca-5,9-dien-2-yl]oxy]-dimethylsilane
PubChem CID50941199
Molecular FormulaC21H36O3Si
Molecular Weight364.60 g/mol
Exact Mass364.24
IUPAC Nametert-butyl-[[(1R,2S,5E,8R)-9-(1-ethoxyethenyl)-6-methyl-11-oxabicyclo[6.2.1]undeca-5,9-dien-2-yl]oxy]-dimethylsilane
SMILESC=C(OCC)C1=C[C@H]2O[C@@H]1C/C(C)=C\CC[C@@H]2O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H36O3Si/c1-9-22-16(3)17-14-20-18(24-25(7,8)21(4,5)6)12-10-11-15(2)13-19(17)23-20/h11,14,18-20H,3,9-10,12-13H2,1-2,4-8H3/b15-11-/t18-,19+,20+/m0/s1
InChIKeyZOGYKCFJNOMNOU-AUXUVXAZSA-N
XLogP5.75
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.60
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze tert-butyl-[[(1R,2S,5E,8R)-9-(1-ethoxyethenyl)-6-methyl-11-oxabicyclo[6.2.1]undeca-5,9-dien-2-yl]oxy]-dimethylsilane with MolForge

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

Launch Full Analysis

Related Compounds

tert-butyl-[[(2R,3R,6Z,9R)-3-[tert-butyl(dimethyl)silyl]oxy-9-[(1Z)-2-methoxy-3-methylbuta-1,3-dienyl]-7-methyl-2,3,4,5,8,9-hexahydrooxonin-2-yl]methoxy]-dimethylsilane
CID 11511824
tert-butyl-[[(1R,2S,5Z,8R)-9-(1-ethoxyethenyl)-6-methyl-11-oxabicyclo[6.2.1]undeca-5,9-dien-2-yl]oxy]-dimethylsilane
CID 16007265
tert-butyl-[[(2S,5S)-5-hexyl-3-methyl-2,5-dihydrofuran-2-yl]methoxy]-dimethylsilane
CID 21630664
[(2R,3R,6Z,9R)-3-[tert-butyl(dimethyl)silyl]oxy-9-[(1Z)-2-methoxybuta-1,3-dienyl]-7-methyl-2,3,4,5,8,9-hexahydrooxonin-2-yl]methanol
CID 49844818
tert-butyl-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(4R,5Z)-6-methoxy-2,7-dimethylocta-1,5,7-trien-4-yl]oxyhept-6-enoxy]-dimethylsilane
CID 134939172
tert-butyl-dimethyl-[(1R)-1-[(2S)-4-methyl-2,5-dihydrofuran-2-yl]hex-5-enoxy]silane
CID 10732731
tert-butyl-dimethyl-[(1S)-1-[(2S)-4-methyl-2,5-dihydrofuran-2-yl]hex-5-enoxy]silane
CID 10803913
2-[(2S,3R,5Z,7Z,9S)-3-[tert-butyl(dimethyl)silyl]oxy-9-ethyl-2,3,4,9-tetrahydrooxonin-2-yl]ethanol
CID 11267378
tert-butyl-[1-[(3Z)-deca-1,3-dien-5-yl]oxy-5-methylhex-4-en-3-yl]oxy-dimethylsilane
CID 11603326
tert-butyl-[1-[(3Z)-deca-1,3-dien-5-yl]oxypent-4-en-2-yloxy]-dimethylsilane
CID 11638910
tert-butyl-[1-[(3Z)-deca-1,3-dien-5-yl]oxy-4-methylpent-3-en-2-yl]oxy-dimethylsilane
CID 11696305
tert-butyl-[[(2S,5R)-5-hexyl-3-methyl-2,5-dihydrofuran-2-yl]methoxy]-dimethylsilane
CID 21630665

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[(1R,2S,5E,8R)-9-(1-ethoxyethenyl)-6-methyl-11-oxabicyclo[6.2.1]undeca-5,9-dien-2-yl]oxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[(1R,2S,5E,8R)-9-(1-ethoxyethenyl)-6-methyl-11-oxabicyclo[6.2.1]undeca-5,9-dien-2-yl]oxy]-dimethylsilane (CID 50941199) is tert-butyl-[[(1R,2S,5E,8R)-9-(1-ethoxyethenyl)-6-methyl-11-oxabicyclo[6.2.1]undeca-5,9-dien-2-yl]oxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[(1R,2S,5E,8R)-9-(1-ethoxyethenyl)-6-methyl-11-oxabicyclo[6.2.1]undeca-5,9-dien-2-yl]oxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[(1R,2S,5E,8R)-9-(1-ethoxyethenyl)-6-methyl-11-oxabicyclo[6.2.1]undeca-5,9-dien-2-yl]oxy]-dimethylsilane is C=C(OCC)C1=C[C@H]2O[C@@H]1C/C(C)=C\CC[C@@H]2O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[[(1R,2S,5E,8R)-9-(1-ethoxyethenyl)-6-methyl-11-oxabicyclo[6.2.1]undeca-5,9-dien-2-yl]oxy]-dimethylsilane?
The InChIKey is ZOGYKCFJNOMNOU-AUXUVXAZSA-N. The full InChI is InChI=1S/C21H36O3Si/c1-9-22-16(3)17-14-20-18(24-25(7,8)21(4,5)6)12-10-11-15(2)13-19(17)23-20/h11,14,18-20H,3,9-10,12-13H2,1-2,4-8H3/b15-11-/t18-,19+,20+/m0/s1.
What are the key properties of tert-butyl-[[(1R,2S,5E,8R)-9-(1-ethoxyethenyl)-6-methyl-11-oxabicyclo[6.2.1]undeca-5,9-dien-2-yl]oxy]-dimethylsilane?
tert-butyl-[[(1R,2S,5E,8R)-9-(1-ethoxyethenyl)-6-methyl-11-oxabicyclo[6.2.1]undeca-5,9-dien-2-yl]oxy]-dimethylsilane has a molecular weight of 364.60 g/mol, XLogP of 5.75, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[(1R,2S,5E,8R)-9-(1-ethoxyethenyl)-6-methyl-11-oxabicyclo[6.2.1]undeca-5,9-dien-2-yl]oxy]-dimethylsilane is sourced from PubChem (CID 50941199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).