tert-butyl-[[(1S,2R,4S,5R)-2,4-dimethyl-8-oxabicyclo[3.2.1]oct-6-en-3-yl]oxy]-diphenylsilane

C25H32O2Si — CID 102008297

IUPACtert-butyl-[[(1S,2R,4S,5R)-2,4-dimethyl-8-oxabicyclo[3.2.1]oct-6-en-3-yl]oxy]-diphenylsilane
SMILESC[C@@H]1C(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H](C)[C@@H]2C=C[C@H]1O2
InChIInChI=1S/C25H32O2Si/c1-18-22-16-17-23(26-22)19(2)24(18)27-28(25(3,4)5,20-12-8-6-9-13-20)21-14-10-7-11-15-21/h6-19,22-24H,1-5H3/t18-,19+,22+,23-,24?
InChIKeyQXZAGSRGKBJWKY-PNGPYDMHSA-N
MW392.62 g/mol
LogP4.54
Rot. Bonds4

About tert-butyl-[[(1S,2R,4S,5R)-2,4-dimethyl-8-oxabicyclo[3.2.1]oct-6-en-3-yl]oxy]-diphenylsilane

tert-butyl-[[(1S,2R,4S,5R)-2,4-dimethyl-8-oxabicyclo[3.2.1]oct-6-en-3-yl]oxy]-diphenylsilane (PubChem CID 102008297) has the molecular formula C25H32O2Si and a molecular weight of 392.62 g/mol. Its IUPAC name is tert-butyl-[[(1S,2R,4S,5R)-2,4-dimethyl-8-oxabicyclo[3.2.1]oct-6-en-3-yl]oxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[[(1S,2R,4S,5R)-2,4-dimethyl-8-oxabicyclo[3.2.1]oct-6-en-3-yl]oxy]-diphenylsilane
PubChem CID102008297
Molecular FormulaC25H32O2Si
Molecular Weight392.62 g/mol
Exact Mass392.22
IUPAC Nametert-butyl-[[(1S,2R,4S,5R)-2,4-dimethyl-8-oxabicyclo[3.2.1]oct-6-en-3-yl]oxy]-diphenylsilane
SMILESC[C@@H]1C(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H](C)[C@@H]2C=C[C@H]1O2
InChIInChI=1S/C25H32O2Si/c1-18-22-16-17-23(26-22)19(2)24(18)27-28(25(3,4)5,20-12-8-6-9-13-20)21-14-10-7-11-15-21/h6-19,22-24H,1-5H3/t18-,19+,22+,23-,24?
InChIKeyQXZAGSRGKBJWKY-PNGPYDMHSA-N
XLogP4.54
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.62
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze tert-butyl-[[(1S,2R,4S,5R)-2,4-dimethyl-8-oxabicyclo[3.2.1]oct-6-en-3-yl]oxy]-diphenylsilane 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 tert-butyl-[[(1S,2R,4S,5R)-2,4-dimethyl-8-oxabicyclo[3.2.1]oct-6-en-3-yl]oxy]-diphenylsilane?
The IUPAC name of tert-butyl-[[(1S,2R,4S,5R)-2,4-dimethyl-8-oxabicyclo[3.2.1]oct-6-en-3-yl]oxy]-diphenylsilane (CID 102008297) is tert-butyl-[[(1S,2R,4S,5R)-2,4-dimethyl-8-oxabicyclo[3.2.1]oct-6-en-3-yl]oxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[[(1S,2R,4S,5R)-2,4-dimethyl-8-oxabicyclo[3.2.1]oct-6-en-3-yl]oxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[[(1S,2R,4S,5R)-2,4-dimethyl-8-oxabicyclo[3.2.1]oct-6-en-3-yl]oxy]-diphenylsilane is C[C@@H]1C(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H](C)[C@@H]2C=C[C@H]1O2.
What is the InChIKey of tert-butyl-[[(1S,2R,4S,5R)-2,4-dimethyl-8-oxabicyclo[3.2.1]oct-6-en-3-yl]oxy]-diphenylsilane?
The InChIKey is QXZAGSRGKBJWKY-PNGPYDMHSA-N. The full InChI is InChI=1S/C25H32O2Si/c1-18-22-16-17-23(26-22)19(2)24(18)27-28(25(3,4)5,20-12-8-6-9-13-20)21-14-10-7-11-15-21/h6-19,22-24H,1-5H3/t18-,19+,22+,23-,24?.
What are the key properties of tert-butyl-[[(1S,2R,4S,5R)-2,4-dimethyl-8-oxabicyclo[3.2.1]oct-6-en-3-yl]oxy]-diphenylsilane?
tert-butyl-[[(1S,2R,4S,5R)-2,4-dimethyl-8-oxabicyclo[3.2.1]oct-6-en-3-yl]oxy]-diphenylsilane has a molecular weight of 392.62 g/mol, XLogP of 4.54, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[(1S,2R,4S,5R)-2,4-dimethyl-8-oxabicyclo[3.2.1]oct-6-en-3-yl]oxy]-diphenylsilane is sourced from PubChem (CID 102008297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).