tert-butyl-[[(1R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-4-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-6-oxabicyclo[3.1.0]hex-2-en-2-yl]methoxy]-dimethylsilane

C26H54O4Si3 — CID 10962328

IUPACtert-butyl-[[(1R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-4-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-6-oxabicyclo[3.1.0]hex-2-en-2-yl]methoxy]-dimethylsilane
SMILESC[C@H](O[Si](C)(C)C(C)(C)C)[C@]1(O[Si](C)(C)C(C)(C)C)C=C(CO[Si](C)(C)C(C)(C)C)[C@H]2O[C@H]21
InChIInChI=1S/C26H54O4Si3/c1-19(29-32(13,14)24(5,6)7)26(30-33(15,16)25(8,9)10)17-20(21-22(26)28-21)18-27-31(11,12)23(2,3)4/h17,19,21-22H,18H2,1-16H3/t19-,21+,22+,26+/m0/s1
InChIKeyNHAIXBSRTVCPOE-BLJFENDVSA-N
MW514.97 g/mol
LogP7.89
Rot. Bonds8

About tert-butyl-[[(1R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-4-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-6-oxabicyclo[3.1.0]hex-2-en-2-yl]methoxy]-dimethylsilane

tert-butyl-[[(1R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-4-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-6-oxabicyclo[3.1.0]hex-2-en-2-yl]methoxy]-dimethylsilane (PubChem CID 10962328) has the molecular formula C26H54O4Si3 and a molecular weight of 514.97 g/mol. Its IUPAC name is tert-butyl-[[(1R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-4-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-6-oxabicyclo[3.1.0]hex-2-en-2-yl]methoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[(1R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-4-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-6-oxabicyclo[3.1.0]hex-2-en-2-yl]methoxy]-dimethylsilane
PubChem CID10962328
Molecular FormulaC26H54O4Si3
Molecular Weight514.97 g/mol
Exact Mass514.33
IUPAC Nametert-butyl-[[(1R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-4-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-6-oxabicyclo[3.1.0]hex-2-en-2-yl]methoxy]-dimethylsilane
SMILESC[C@H](O[Si](C)(C)C(C)(C)C)[C@]1(O[Si](C)(C)C(C)(C)C)C=C(CO[Si](C)(C)C(C)(C)C)[C@H]2O[C@H]21
InChIInChI=1S/C26H54O4Si3/c1-19(29-32(13,14)24(5,6)7)26(30-33(15,16)25(8,9)10)17-20(21-22(26)28-21)18-27-31(11,12)23(2,3)4/h17,19,21-22H,18H2,1-16H3/t19-,21+,22+,26+/m0/s1
InChIKeyNHAIXBSRTVCPOE-BLJFENDVSA-N
XLogP7.89
TPSA40.22 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.97
LogP ≤ 57.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R,3R,4R,5RS)-3,4-Epoxy-5-trimethylsilyloxy-1,2-O-bis(triiospropylsilyloxy)-4,6-dim-ethyl-6(E)-nonene
CID 11180956
(2R,3R,4R,5RS)-3,4-Epoxy-5-ol-1,2-bis(triisopropylsilyloxy)-4,6-dimethyl-6(E)-nonene
CID 101244418
tert-butyl-dimethyl-[[(13R,14S)-3-oxatricyclo[11.2.1.02,4]hexadec-1(16)-en-14-yl]oxy]silane
CID 135067890
tert-butyl-dimethyl-[(1R)-1-[(2S,3R)-3-methyl-3-[(E,1S)-2-methyl-1-trimethylsilyloxypent-2-enyl]oxiran-2-yl]-2-tri(propan-2-yl)silyloxyethoxy]silane;tert-butyl-dimethyl-[(1R)-1-[(2S,3R)-3-methyl-3-[(E,1R)-2-methyl-1-trimethylsilyloxypent-2-enyl]oxiran-2-yl]-2-tri(propan-2-yl)silyloxyethoxy]silane
CID 145994801
[(2R,3S,4S,6R)-6-[(1S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-3-methyl-2-[(E)-prop-1-enyl]oxan-4-yl]oxy-tert-butyl-dimethylsilane
CID 60088517
hydroxy-dimethyl-[2-methyl-1-[(1R,4R,5R,6S)-4,5,6-tributoxy-3-(butoxymethyl)cyclohex-2-en-1-yl]propan-2-yl]silane
CID 71079950
[(2R,3S,4S,6R)-6-[(1S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-3-methyl-2-prop-1-enyloxan-4-yl]oxy-tert-butyl-dimethylsilane
CID 90771901
tert-butyl-[[(3R,4S,5S)-5-methoxy-4-[(3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]oct-6-en-6-yl]oxy]-dimethylsilane
CID 123343518
[(2R,3S,4R,6R)-6-[(1S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-3-methyl-2-[(E)-prop-1-enyl]oxan-4-yl]oxy-tert-butyl-dimethylsilane
CID 145782110
tert-butyl-[[(3R,4S,5S)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]oct-6-en-6-yl]oxy]-dimethylsilane
CID 173744498
tert-butyl-[[(3R,4R,5S)-5-methoxy-4-[2-(3-methylbut-2-enoxy)propan-2-yl]-1-oxaspiro[2.5]oct-6-en-6-yl]oxy]-dimethylsilane
CID 173798441
triethyl-[(2R,3S,4R,5S)-3-triethylsilyloxy-5-[[(2S,3S)-3-[(2R,3S)-3-triethylsilyloxybutan-2-yl]oxiran-2-yl]methyl]-2-[(Z)-2-tri(propan-2-yl)silyloxyprop-1-enyl]oxan-4-yl]oxysilane
CID 10533367

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[(1R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-4-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-6-oxabicyclo[3.1.0]hex-2-en-2-yl]methoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[(1R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-4-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-6-oxabicyclo[3.1.0]hex-2-en-2-yl]methoxy]-dimethylsilane (CID 10962328) is tert-butyl-[[(1R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-4-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-6-oxabicyclo[3.1.0]hex-2-en-2-yl]methoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[(1R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-4-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-6-oxabicyclo[3.1.0]hex-2-en-2-yl]methoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[(1R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-4-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-6-oxabicyclo[3.1.0]hex-2-en-2-yl]methoxy]-dimethylsilane is C[C@H](O[Si](C)(C)C(C)(C)C)[C@]1(O[Si](C)(C)C(C)(C)C)C=C(CO[Si](C)(C)C(C)(C)C)[C@H]2O[C@H]21.
What is the InChIKey of tert-butyl-[[(1R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-4-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-6-oxabicyclo[3.1.0]hex-2-en-2-yl]methoxy]-dimethylsilane?
The InChIKey is NHAIXBSRTVCPOE-BLJFENDVSA-N. The full InChI is InChI=1S/C26H54O4Si3/c1-19(29-32(13,14)24(5,6)7)26(30-33(15,16)25(8,9)10)17-20(21-22(26)28-21)18-27-31(11,12)23(2,3)4/h17,19,21-22H,18H2,1-16H3/t19-,21+,22+,26+/m0/s1.
What are the key properties of tert-butyl-[[(1R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-4-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-6-oxabicyclo[3.1.0]hex-2-en-2-yl]methoxy]-dimethylsilane?
tert-butyl-[[(1R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-4-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-6-oxabicyclo[3.1.0]hex-2-en-2-yl]methoxy]-dimethylsilane has a molecular weight of 514.97 g/mol, XLogP of 7.89, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[(1R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-4-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-6-oxabicyclo[3.1.0]hex-2-en-2-yl]methoxy]-dimethylsilane is sourced from PubChem (CID 10962328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).