tert-butyl-dimethyl-[[(1S,5R,6R,7R)-7-tri(propan-2-yl)silyloxy-6-bicyclo[3.2.0]hept-2-enyl]oxy]silane

C22H44O2Si2 — CID 24823371

IUPACtert-butyl-dimethyl-[[(1S,5R,6R,7R)-7-tri(propan-2-yl)silyloxy-6-bicyclo[3.2.0]hept-2-enyl]oxy]silane
SMILESCC(C)[Si](O[C@@H]1[C@H]2C=CC[C@H]2[C@H]1O[Si](C)(C)C(C)(C)C)(C(C)C)C(C)C
InChIInChI=1S/C22H44O2Si2/c1-15(2)26(16(3)4,17(5)6)24-21-19-14-12-13-18(19)20(21)23-25(10,11)22(7,8)9/h12,14-21H,13H2,1-11H3/t18-,19+,20-,21-/m1/s1
InChIKeyZQAWWDGOXPJFHD-PLACYPQZSA-N
MW396.76 g/mol
LogP7.14
Rot. Bonds7

About tert-butyl-dimethyl-[[(1S,5R,6R,7R)-7-tri(propan-2-yl)silyloxy-6-bicyclo[3.2.0]hept-2-enyl]oxy]silane

tert-butyl-dimethyl-[[(1S,5R,6R,7R)-7-tri(propan-2-yl)silyloxy-6-bicyclo[3.2.0]hept-2-enyl]oxy]silane (PubChem CID 24823371) has the molecular formula C22H44O2Si2 and a molecular weight of 396.76 g/mol. Its IUPAC name is tert-butyl-dimethyl-[[(1S,5R,6R,7R)-7-tri(propan-2-yl)silyloxy-6-bicyclo[3.2.0]hept-2-enyl]oxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[[(1S,5R,6R,7R)-7-tri(propan-2-yl)silyloxy-6-bicyclo[3.2.0]hept-2-enyl]oxy]silane
PubChem CID24823371
Molecular FormulaC22H44O2Si2
Molecular Weight396.76 g/mol
Exact Mass396.29
IUPAC Nametert-butyl-dimethyl-[[(1S,5R,6R,7R)-7-tri(propan-2-yl)silyloxy-6-bicyclo[3.2.0]hept-2-enyl]oxy]silane
SMILESCC(C)[Si](O[C@@H]1[C@H]2C=CC[C@H]2[C@H]1O[Si](C)(C)C(C)(C)C)(C(C)C)C(C)C
InChIInChI=1S/C22H44O2Si2/c1-15(2)26(16(3)4,17(5)6)24-21-19-14-12-13-18(19)20(21)23-25(10,11)22(7,8)9/h12,14-21H,13H2,1-11H3/t18-,19+,20-,21-/m1/s1
InChIKeyZQAWWDGOXPJFHD-PLACYPQZSA-N
XLogP7.14
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.76
LogP ≤ 57.14
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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Launch Full Analysis

Related Compounds

(1R,5S,6R)-7-[tert-butyl(dimethyl)silyl]oxybicyclo[3.2.0]hept-3-en-6-ol
CID 135040041
Tert-butyl-[[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylcyclopent-3-en-1-yl]methoxy]-dimethylsilane
CID 54533592
(1S,5R,6R,7R)-7-methyl-7-vinylbicyclo[3.2.0]hept-2-en-6-yl trimethylsilyl ether
CID 99771830
tert-butyl-[[(1R,2R,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-2-bicyclo[3.2.0]hept-6-enyl]oxy]-dimethylsilane
CID 11268255
tert-butyl-dimethyl-[(1R,2R)-2-prop-2-enyl-4-trimethylsilyloxycyclopent-3-en-1-yl]oxysilane
CID 11427377
[(1S,5R,6S)-6-bicyclo[3.2.0]hept-2-enyl]oxy-tert-butyl-dimethylsilane
CID 59053027
tert-butyl-dimethyl-[[(1R,4R,5R,6S)-4-methyl-2-trimethylsilyloxy-6-bicyclo[3.2.0]hept-2-enyl]oxy]silane
CID 59053151
tert-butyl-[(1S)-1-[(1R,2R)-2-[(Z)-10-[tert-butyl(dimethyl)silyl]oxydec-1-enyl]cyclopent-3-en-1-yl]propoxy]-dimethylsilane
CID 73212035
tert-butyl-[[(1R,2S,4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-2-bicyclo[3.2.0]hept-6-enyl]oxy]-dimethylsilane
CID 101200499
tert-butyl-[[(2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-bicyclo[3.2.0]hept-6-enyl]oxy]-dimethylsilane
CID 102472546

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[[(1S,5R,6R,7R)-7-tri(propan-2-yl)silyloxy-6-bicyclo[3.2.0]hept-2-enyl]oxy]silane?
The IUPAC name of tert-butyl-dimethyl-[[(1S,5R,6R,7R)-7-tri(propan-2-yl)silyloxy-6-bicyclo[3.2.0]hept-2-enyl]oxy]silane (CID 24823371) is tert-butyl-dimethyl-[[(1S,5R,6R,7R)-7-tri(propan-2-yl)silyloxy-6-bicyclo[3.2.0]hept-2-enyl]oxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[[(1S,5R,6R,7R)-7-tri(propan-2-yl)silyloxy-6-bicyclo[3.2.0]hept-2-enyl]oxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[[(1S,5R,6R,7R)-7-tri(propan-2-yl)silyloxy-6-bicyclo[3.2.0]hept-2-enyl]oxy]silane is CC(C)[Si](O[C@@H]1[C@H]2C=CC[C@H]2[C@H]1O[Si](C)(C)C(C)(C)C)(C(C)C)C(C)C.
What is the InChIKey of tert-butyl-dimethyl-[[(1S,5R,6R,7R)-7-tri(propan-2-yl)silyloxy-6-bicyclo[3.2.0]hept-2-enyl]oxy]silane?
The InChIKey is ZQAWWDGOXPJFHD-PLACYPQZSA-N. The full InChI is InChI=1S/C22H44O2Si2/c1-15(2)26(16(3)4,17(5)6)24-21-19-14-12-13-18(19)20(21)23-25(10,11)22(7,8)9/h12,14-21H,13H2,1-11H3/t18-,19+,20-,21-/m1/s1.
What are the key properties of tert-butyl-dimethyl-[[(1S,5R,6R,7R)-7-tri(propan-2-yl)silyloxy-6-bicyclo[3.2.0]hept-2-enyl]oxy]silane?
tert-butyl-dimethyl-[[(1S,5R,6R,7R)-7-tri(propan-2-yl)silyloxy-6-bicyclo[3.2.0]hept-2-enyl]oxy]silane has a molecular weight of 396.76 g/mol, XLogP of 7.14, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[[(1S,5R,6R,7R)-7-tri(propan-2-yl)silyloxy-6-bicyclo[3.2.0]hept-2-enyl]oxy]silane is sourced from PubChem (CID 24823371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).