tert-butyl-[[(1R,2S,4R,5S)-4-chloro-3-oxabicyclo[3.1.0]hexan-2-yl]methoxy]-diphenylsilane

C22H27ClO2Si — CID 11101116

IUPACtert-butyl-[[(1R,2S,4R,5S)-4-chloro-3-oxabicyclo[3.1.0]hexan-2-yl]methoxy]-diphenylsilane
SMILESCC(C)(C)[Si](OC[C@H]1O[C@H](Cl)[C@H]2C[C@H]21)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H27ClO2Si/c1-22(2,3)26(16-10-6-4-7-11-16,17-12-8-5-9-13-17)24-15-20-18-14-19(18)21(23)25-20/h4-13,18-21H,14-15H2,1-3H3/t18-,19+,20-,21+/m1/s1
InChIKeyUEGBUCAIYFYYDX-MHTWAQMVSA-N
MW387.00 g/mol
LogP4.16
Rot. Bonds5

About tert-butyl-[[(1R,2S,4R,5S)-4-chloro-3-oxabicyclo[3.1.0]hexan-2-yl]methoxy]-diphenylsilane

tert-butyl-[[(1R,2S,4R,5S)-4-chloro-3-oxabicyclo[3.1.0]hexan-2-yl]methoxy]-diphenylsilane (PubChem CID 11101116) has the molecular formula C22H27ClO2Si and a molecular weight of 387.00 g/mol. Its IUPAC name is tert-butyl-[[(1R,2S,4R,5S)-4-chloro-3-oxabicyclo[3.1.0]hexan-2-yl]methoxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[[(1R,2S,4R,5S)-4-chloro-3-oxabicyclo[3.1.0]hexan-2-yl]methoxy]-diphenylsilane
PubChem CID11101116
Molecular FormulaC22H27ClO2Si
Molecular Weight387.00 g/mol
Exact Mass386.15
IUPAC Nametert-butyl-[[(1R,2S,4R,5S)-4-chloro-3-oxabicyclo[3.1.0]hexan-2-yl]methoxy]-diphenylsilane
SMILESCC(C)(C)[Si](OC[C@H]1O[C@H](Cl)[C@H]2C[C@H]21)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H27ClO2Si/c1-22(2,3)26(16-10-6-4-7-11-16,17-12-8-5-9-13-17)24-15-20-18-14-19(18)21(23)25-20/h4-13,18-21H,14-15H2,1-3H3/t18-,19+,20-,21+/m1/s1
InChIKeyUEGBUCAIYFYYDX-MHTWAQMVSA-N
XLogP4.16
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.00
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1R,4R,5S)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-oxabicyclo[3.1.0]hexan-2-ol
CID 10571070
(1S,2R,4S,5R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-oxabicyclo[3.1.0]hexan-2-ol
CID 101017191
(1R,4S,5S)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-oxabicyclo[3.1.0]hexan-2-one
CID 11035946
tert-butyl-diphenyl-[[(2R)-3-(2-trimethylsilylethynyl)oxiran-2-yl]methoxy]silane
CID 166437595
(2R,3R,5R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-(2-hydroxypropan-2-yloxy)oxolan-3-ol
CID 144948924
tert-butyl-(2-chloroprop-2-enoxy)-diphenylsilane
CID 138969032
(2S,3S,4S,5R,6R)-4,5-bis[[tert-butyl(diphenyl)silyl]oxy]-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-iodooxan-2-ol
CID 171122436
tert-butyl-[[(2S,4R,5S)-5-chloro-4-fluoro-4-methyloxolan-2-yl]methoxy]-diphenylsilane
CID 90339250
tert-butyl-[[(2S)-oxolan-2-yl]methoxy]-diphenylsilane
CID 56616386
(2R,3S,4S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-ethoxyoxane-3,4-diol
CID 11683418
(2S,3R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methoxyoxolane-3-carbonitrile
CID 70226546
(2R,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-phenylselanyloxolan-3-ol
CID 10896506

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[(1R,2S,4R,5S)-4-chloro-3-oxabicyclo[3.1.0]hexan-2-yl]methoxy]-diphenylsilane?
The IUPAC name of tert-butyl-[[(1R,2S,4R,5S)-4-chloro-3-oxabicyclo[3.1.0]hexan-2-yl]methoxy]-diphenylsilane (CID 11101116) is tert-butyl-[[(1R,2S,4R,5S)-4-chloro-3-oxabicyclo[3.1.0]hexan-2-yl]methoxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[[(1R,2S,4R,5S)-4-chloro-3-oxabicyclo[3.1.0]hexan-2-yl]methoxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[[(1R,2S,4R,5S)-4-chloro-3-oxabicyclo[3.1.0]hexan-2-yl]methoxy]-diphenylsilane is CC(C)(C)[Si](OC[C@H]1O[C@H](Cl)[C@H]2C[C@H]21)(c1ccccc1)c1ccccc1.
What is the InChIKey of tert-butyl-[[(1R,2S,4R,5S)-4-chloro-3-oxabicyclo[3.1.0]hexan-2-yl]methoxy]-diphenylsilane?
The InChIKey is UEGBUCAIYFYYDX-MHTWAQMVSA-N. The full InChI is InChI=1S/C22H27ClO2Si/c1-22(2,3)26(16-10-6-4-7-11-16,17-12-8-5-9-13-17)24-15-20-18-14-19(18)21(23)25-20/h4-13,18-21H,14-15H2,1-3H3/t18-,19+,20-,21+/m1/s1.
What are the key properties of tert-butyl-[[(1R,2S,4R,5S)-4-chloro-3-oxabicyclo[3.1.0]hexan-2-yl]methoxy]-diphenylsilane?
tert-butyl-[[(1R,2S,4R,5S)-4-chloro-3-oxabicyclo[3.1.0]hexan-2-yl]methoxy]-diphenylsilane has a molecular weight of 387.00 g/mol, XLogP of 4.16, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[(1R,2S,4R,5S)-4-chloro-3-oxabicyclo[3.1.0]hexan-2-yl]methoxy]-diphenylsilane is sourced from PubChem (CID 11101116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).