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

C23H28O2Si — CID 102008296

IUPACtert-butyl-[[(1R,5S)-8-oxabicyclo[3.2.1]oct-6-en-3-yl]oxy]-diphenylsilane
SMILESCC(C)(C)[Si](OC1C[C@H]2C=C[C@@H](C1)O2)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H28O2Si/c1-23(2,3)26(21-10-6-4-7-11-21,22-12-8-5-9-13-22)25-20-16-18-14-15-19(17-20)24-18/h4-15,18-20H,16-17H2,1-3H3/t18-,19+,20?
InChIKeyKTWKYUHVGZRKKR-YOFSQIOKSA-N
MW364.56 g/mol
LogP4.05
Rot. Bonds4

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

tert-butyl-[[(1R,5S)-8-oxabicyclo[3.2.1]oct-6-en-3-yl]oxy]-diphenylsilane (PubChem CID 102008296) has the molecular formula C23H28O2Si and a molecular weight of 364.56 g/mol. Its IUPAC name is tert-butyl-[[(1R,5S)-8-oxabicyclo[3.2.1]oct-6-en-3-yl]oxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[[(1R,5S)-8-oxabicyclo[3.2.1]oct-6-en-3-yl]oxy]-diphenylsilane
PubChem CID102008296
Molecular FormulaC23H28O2Si
Molecular Weight364.56 g/mol
Exact Mass364.19
IUPAC Nametert-butyl-[[(1R,5S)-8-oxabicyclo[3.2.1]oct-6-en-3-yl]oxy]-diphenylsilane
SMILESCC(C)(C)[Si](OC1C[C@H]2C=C[C@@H](C1)O2)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H28O2Si/c1-23(2,3)26(21-10-6-4-7-11-21,22-12-8-5-9-13-22)25-20-16-18-14-15-19(17-20)24-18/h4-15,18-20H,16-17H2,1-3H3/t18-,19+,20?
InChIKeyKTWKYUHVGZRKKR-YOFSQIOKSA-N
XLogP4.05
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.56
LogP ≤ 54.05
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'}

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Related Compounds

3-bicyclo[3.1.0]hexanyloxy-tert-butyl-diphenylsilane
CID 154401251
3-[tert-butyl(diphenyl)silyl]oxycyclobutan-1-ol
CID 59414974
(3-bromocyclobutyl)oxy-tert-butyl-diphenylsilane
CID 142577121
2-[(2R,6R)-4-[tert-butyl(diphenyl)silyl]oxy-6-(2-hydroxypropan-2-yl)oxan-2-yl]propan-2-ol
CID 11977280
4-[tert-butyl(diphenyl)silyl]oxy-2-methylcyclopentan-1-amine
CID 142751894
tert-butyl-cyclopent-3-en-1-yloxy-diphenylsilane
CID 11347853
4-[tert-butyl(diphenyl)silyl]oxycyclopentane-1,2-diamine;4-[tert-butyl(diphenyl)silyl]oxycyclopentane-1,2-diol
CID 159197453
1-[(1R,5R)-3-[tert-butyl(diphenyl)silyl]oxy-6-bicyclo[3.1.0]hexanyl]ethanone
CID 129323384
(1S,2R,4R)-4-[tert-butyl(diphenyl)silyl]oxycyclohexane-1,2-diamine
CID 177070919
cis-methyl (3S,5R)-3,5-bis[[tert-butyl(diphenyl)silyl]oxy]cyclohexane-1-carboxylate
CID 58715061
methyl 3,5-bis[[tert-butyl(diphenyl)silyl]oxy]cyclohexane-1-carboxylate
CID 21062599
(3S,4S,5S,6S)-3-[tert-butyl(diphenyl)silyl]oxy-6-(hydroxymethyl)oxane-2,4,5-triol
CID 10811969

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[(1R,5S)-8-oxabicyclo[3.2.1]oct-6-en-3-yl]oxy]-diphenylsilane?
The IUPAC name of tert-butyl-[[(1R,5S)-8-oxabicyclo[3.2.1]oct-6-en-3-yl]oxy]-diphenylsilane (CID 102008296) is tert-butyl-[[(1R,5S)-8-oxabicyclo[3.2.1]oct-6-en-3-yl]oxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[[(1R,5S)-8-oxabicyclo[3.2.1]oct-6-en-3-yl]oxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[[(1R,5S)-8-oxabicyclo[3.2.1]oct-6-en-3-yl]oxy]-diphenylsilane is CC(C)(C)[Si](OC1C[C@H]2C=C[C@@H](C1)O2)(c1ccccc1)c1ccccc1.
What is the InChIKey of tert-butyl-[[(1R,5S)-8-oxabicyclo[3.2.1]oct-6-en-3-yl]oxy]-diphenylsilane?
The InChIKey is KTWKYUHVGZRKKR-YOFSQIOKSA-N. The full InChI is InChI=1S/C23H28O2Si/c1-23(2,3)26(21-10-6-4-7-11-21,22-12-8-5-9-13-22)25-20-16-18-14-15-19(17-20)24-18/h4-15,18-20H,16-17H2,1-3H3/t18-,19+,20?.
What are the key properties of tert-butyl-[[(1R,5S)-8-oxabicyclo[3.2.1]oct-6-en-3-yl]oxy]-diphenylsilane?
tert-butyl-[[(1R,5S)-8-oxabicyclo[3.2.1]oct-6-en-3-yl]oxy]-diphenylsilane has a molecular weight of 364.56 g/mol, XLogP of 4.05, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[(1R,5S)-8-oxabicyclo[3.2.1]oct-6-en-3-yl]oxy]-diphenylsilane is sourced from PubChem (CID 102008296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).