tert-butyl-[[(1R,2R,6R)-7-oxabicyclo[4.1.0]heptan-2-yl]oxy]-diphenylsilane

C22H28O2Si — CID 11462313

IUPACtert-butyl-[[(1R,2R,6R)-7-oxabicyclo[4.1.0]heptan-2-yl]oxy]-diphenylsilane
SMILESCC(C)(C)[Si](O[C@@H]1CCC[C@H]2O[C@H]21)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H28O2Si/c1-22(2,3)25(17-11-6-4-7-12-17,18-13-8-5-9-14-18)24-20-16-10-15-19-21(20)23-19/h4-9,11-14,19-21H,10,15-16H2,1-3H3/t19-,20-,21-/m1/s1
InChIKeyBPCDUWUWNOSJAW-NJDAHSKKSA-N
MW352.55 g/mol
LogP3.88
Rot. Bonds4

About tert-butyl-[[(1R,2R,6R)-7-oxabicyclo[4.1.0]heptan-2-yl]oxy]-diphenylsilane

tert-butyl-[[(1R,2R,6R)-7-oxabicyclo[4.1.0]heptan-2-yl]oxy]-diphenylsilane (PubChem CID 11462313) has the molecular formula C22H28O2Si and a molecular weight of 352.55 g/mol. Its IUPAC name is tert-butyl-[[(1R,2R,6R)-7-oxabicyclo[4.1.0]heptan-2-yl]oxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[[(1R,2R,6R)-7-oxabicyclo[4.1.0]heptan-2-yl]oxy]-diphenylsilane
PubChem CID11462313
Molecular FormulaC22H28O2Si
Molecular Weight352.55 g/mol
Exact Mass352.19
IUPAC Nametert-butyl-[[(1R,2R,6R)-7-oxabicyclo[4.1.0]heptan-2-yl]oxy]-diphenylsilane
SMILESCC(C)(C)[Si](O[C@@H]1CCC[C@H]2O[C@H]21)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H28O2Si/c1-22(2,3)25(17-11-6-4-7-12-17,18-13-8-5-9-14-18)24-20-16-10-15-19-21(20)23-19/h4-9,11-14,19-21H,10,15-16H2,1-3H3/t19-,20-,21-/m1/s1
InChIKeyBPCDUWUWNOSJAW-NJDAHSKKSA-N
XLogP3.88
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.55
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

trans-(1R,2R)-2-[tert-butyl(diphenyl)silyl]oxycyclopentane-1-carboxylic acid
CID 177365841
cis-(1R,2R)-2-[tert-butyl(diphenyl)silyl]oxycyclohexane-1-carbaldehyde
CID 58018792
2-[(1S,2S)-2-[tert-butyl(diphenyl)silyl]oxycyclopentyl]acetic acid
CID 68922385
2-[2-[tert-butyl(diphenyl)silyl]oxycyclopentyl]-2-oxoacetaldehyde
CID 171085570
(2R,6R)-2-trityloxy-7-oxabicyclo[4.1.0]heptane
CID 88896051
(1R,2R,6R)-2-trityloxy-7-oxabicyclo[4.1.0]heptane
CID 86667163
tert-butyl-[(3R)-2,2-dimethyloxolan-3-yl]oxy-diphenylsilane
CID 125472963
tert-butyl-(3-oxabicyclo[3.2.1]octan-8-yloxy)-diphenylsilane
CID 171553746
2-[(2R,3S,6R)-3-[tert-butyl(diphenyl)silyl]oxy-6-methyloxan-2-yl]ethanol
CID 101389307
2-[(1S,2R)-2-[tert-butyl(diphenyl)silyl]oxycyclohexyl]acetic acid
CID 68920538
2-[2-[tert-butyl(diphenyl)silyl]oxycyclohexyl]acetic acid
CID 68920543
tert-butyl-diphenyl-[(2R,3S)-2-pyridin-3-ylpiperidin-3-yl]oxysilane
CID 71485535

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[(1R,2R,6R)-7-oxabicyclo[4.1.0]heptan-2-yl]oxy]-diphenylsilane?
The IUPAC name of tert-butyl-[[(1R,2R,6R)-7-oxabicyclo[4.1.0]heptan-2-yl]oxy]-diphenylsilane (CID 11462313) is tert-butyl-[[(1R,2R,6R)-7-oxabicyclo[4.1.0]heptan-2-yl]oxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[[(1R,2R,6R)-7-oxabicyclo[4.1.0]heptan-2-yl]oxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[[(1R,2R,6R)-7-oxabicyclo[4.1.0]heptan-2-yl]oxy]-diphenylsilane is CC(C)(C)[Si](O[C@@H]1CCC[C@H]2O[C@H]21)(c1ccccc1)c1ccccc1.
What is the InChIKey of tert-butyl-[[(1R,2R,6R)-7-oxabicyclo[4.1.0]heptan-2-yl]oxy]-diphenylsilane?
The InChIKey is BPCDUWUWNOSJAW-NJDAHSKKSA-N. The full InChI is InChI=1S/C22H28O2Si/c1-22(2,3)25(17-11-6-4-7-12-17,18-13-8-5-9-14-18)24-20-16-10-15-19-21(20)23-19/h4-9,11-14,19-21H,10,15-16H2,1-3H3/t19-,20-,21-/m1/s1.
What are the key properties of tert-butyl-[[(1R,2R,6R)-7-oxabicyclo[4.1.0]heptan-2-yl]oxy]-diphenylsilane?
tert-butyl-[[(1R,2R,6R)-7-oxabicyclo[4.1.0]heptan-2-yl]oxy]-diphenylsilane has a molecular weight of 352.55 g/mol, XLogP of 3.88, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[(1R,2R,6R)-7-oxabicyclo[4.1.0]heptan-2-yl]oxy]-diphenylsilane is sourced from PubChem (CID 11462313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).