tert-butyl-(3-oxabicyclo[3.2.1]octan-8-yloxy)-diphenylsilane

C23H30O2Si — CID 171553746

IUPACtert-butyl-(3-oxabicyclo[3.2.1]octan-8-yloxy)-diphenylsilane
SMILESCC(C)(C)[Si](OC1C2CCC1COC2)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H30O2Si/c1-23(2,3)26(20-10-6-4-7-11-20,21-12-8-5-9-13-21)25-22-18-14-15-19(22)17-24-16-18/h4-13,18-19,22H,14-17H2,1-3H3
InChIKeyNBPFAFZNBQLBCF-UHFFFAOYSA-N
MW366.58 g/mol
LogP3.99
Rot. Bonds4

About tert-butyl-(3-oxabicyclo[3.2.1]octan-8-yloxy)-diphenylsilane

tert-butyl-(3-oxabicyclo[3.2.1]octan-8-yloxy)-diphenylsilane (PubChem CID 171553746) has the molecular formula C23H30O2Si and a molecular weight of 366.58 g/mol. Its IUPAC name is tert-butyl-(3-oxabicyclo[3.2.1]octan-8-yloxy)-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-(3-oxabicyclo[3.2.1]octan-8-yloxy)-diphenylsilane
PubChem CID171553746
Molecular FormulaC23H30O2Si
Molecular Weight366.58 g/mol
Exact Mass366.20
IUPAC Nametert-butyl-(3-oxabicyclo[3.2.1]octan-8-yloxy)-diphenylsilane
SMILESCC(C)(C)[Si](OC1C2CCC1COC2)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H30O2Si/c1-23(2,3)26(20-10-6-4-7-11-20,21-12-8-5-9-13-21)25-22-18-14-15-19(22)17-24-16-18/h4-13,18-19,22H,14-17H2,1-3H3
InChIKeyNBPFAFZNBQLBCF-UHFFFAOYSA-N
XLogP3.99
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.58
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[tert-butyl(diphenyl)silyl]oxyoxolan-3-yl]-2-oxoacetaldehyde
CID 171085563
3-bicyclo[3.1.0]hexanyloxy-tert-butyl-diphenylsilane
CID 154401251
3-[tert-butyl(diphenyl)silyl]oxycyclobutan-1-ol
CID 59414974
tert-butyl-diphenyl-[(3R)-pyrrolidin-3-yl]oxysilane
CID 58393504
(2S,3S,4S,5R,6R)-4,5-bis[[tert-butyl(diphenyl)silyl]oxy]-3-iodo-6-methyloxan-2-ol
CID 171125346
(3S,4R,5R)-3-[tert-butyl(diphenyl)silyl]oxy-4-methyl-5-phenyloxolan-2-ol
CID 102433801
tert-butyl-cyclopent-3-en-1-yloxy-diphenylsilane
CID 11347853
(2S,3R,4S,6R)-3-[tert-butyl(diphenyl)silyl]oxy-6-methoxy-2-methyloxan-4-ol
CID 177394561
tert-butyl-[(3R)-2,2-dimethyloxolan-3-yl]oxy-diphenylsilane
CID 125472963
[(3aS,6S,6aS)-1-benzyl-3,3a,4,5,6,6a-hexahydrocyclopenta[c][1,2]oxazol-6-yl]oxy-tert-butyl-diphenylsilane
CID 10671554
(3S,4S,5S,6S)-3-[tert-butyl(diphenyl)silyl]oxy-6-(hydroxymethyl)oxane-2,4,5-triol
CID 10811969
trans-(1R,2R)-2-[tert-butyl(diphenyl)silyl]oxy-5-methylcyclopentane-1-carboxylic acid
CID 170904665

Frequently Asked Questions

What is the IUPAC name of tert-butyl-(3-oxabicyclo[3.2.1]octan-8-yloxy)-diphenylsilane?
The IUPAC name of tert-butyl-(3-oxabicyclo[3.2.1]octan-8-yloxy)-diphenylsilane (CID 171553746) is tert-butyl-(3-oxabicyclo[3.2.1]octan-8-yloxy)-diphenylsilane.
What is the SMILES notation for tert-butyl-(3-oxabicyclo[3.2.1]octan-8-yloxy)-diphenylsilane?
The canonical SMILES for tert-butyl-(3-oxabicyclo[3.2.1]octan-8-yloxy)-diphenylsilane is CC(C)(C)[Si](OC1C2CCC1COC2)(c1ccccc1)c1ccccc1.
What is the InChIKey of tert-butyl-(3-oxabicyclo[3.2.1]octan-8-yloxy)-diphenylsilane?
The InChIKey is NBPFAFZNBQLBCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30O2Si/c1-23(2,3)26(20-10-6-4-7-11-20,21-12-8-5-9-13-21)25-22-18-14-15-19(22)17-24-16-18/h4-13,18-19,22H,14-17H2,1-3H3.
What are the key properties of tert-butyl-(3-oxabicyclo[3.2.1]octan-8-yloxy)-diphenylsilane?
tert-butyl-(3-oxabicyclo[3.2.1]octan-8-yloxy)-diphenylsilane has a molecular weight of 366.58 g/mol, XLogP of 3.99, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(3-oxabicyclo[3.2.1]octan-8-yloxy)-diphenylsilane is sourced from PubChem (CID 171553746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).