[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]but-3-enoxy]-tert-butyl-dimethylsilane

C17H30OSi — CID 10891205

IUPAC[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]but-3-enoxy]-tert-butyl-dimethylsilane
SMILESC=CC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1C[C@H]2C=C[C@@H]1C2
InChIInChI=1S/C17H30OSi/c1-7-8-16(18-19(5,6)17(2,3)4)15-12-13-9-10-14(15)11-13/h7,9-10,13-16H,1,8,11-12H2,2-6H3/t13-,14+,15-,16+/m0/s1
InChIKeyBPQBNZGENSLRAA-XUWVNRHRSA-N
MW278.51 g/mol
LogP5.17
Rot. Bonds5

About [(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]but-3-enoxy]-tert-butyl-dimethylsilane

[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]but-3-enoxy]-tert-butyl-dimethylsilane (PubChem CID 10891205) has the molecular formula C17H30OSi and a molecular weight of 278.51 g/mol. Its IUPAC name is [(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]but-3-enoxy]-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]but-3-enoxy]-tert-butyl-dimethylsilane
PubChem CID10891205
Molecular FormulaC17H30OSi
Molecular Weight278.51 g/mol
Exact Mass278.21
IUPAC Name[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]but-3-enoxy]-tert-butyl-dimethylsilane
SMILESC=CC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1C[C@H]2C=C[C@@H]1C2
InChIInChI=1S/C17H30OSi/c1-7-8-16(18-19(5,6)17(2,3)4)15-12-13-9-10-14(15)11-13/h7,9-10,13-16H,1,8,11-12H2,2-6H3/t13-,14+,15-,16+/m0/s1
InChIKeyBPQBNZGENSLRAA-XUWVNRHRSA-N
XLogP5.17
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.51
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

7-Bicyclo[2.2.1]hept-2-enyloxy-tert-butyl-dimethylsilane
CID 15418774
tert-butyl-[[(1R,2S,3R,4S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-bicyclo[2.2.1]hept-5-enyl]methoxy]-dimethylsilane
CID 11003486
5-(Trimethylsiloxymethyl)norbornene
CID 14197921
5,6-Bis((t-butyldimethylsiloxy)methyl)-2-norbornene
CID 85362869
tert-butyl-[[(1R,2S,3R,6S,7R,8S)-6-[tert-butyl(dimethyl)silyl]oxy-3-tricyclo[6.2.1.02,7]undeca-4,9-dienyl]oxy]-dimethylsilane
CID 10894797
[(E)-3-[(1R,2R)-4,4-dimethyl-2-(oxiran-2-ylmethyl)cyclopentyl]prop-2-enyl]-trimethylsilane
CID 14608166
5-(Triethylsiloxymethyl)norbornene
CID 85778197
tert-butyl-[[(1R,3R,6S,8S)-6-[tert-butyl(dimethyl)silyl]oxy-3-tricyclo[6.2.1.02,7]undeca-4,9-dienyl]oxy]-dimethylsilane
CID 100920342
[(1S,3aR,5S,7aR)-5-methyl-2,3,3a,4,5,7a-hexahydro-1H-inden-1-yl]oxy-tert-butyl-dimethylsilane
CID 134899502
Tri(propan-2-yl)-[[3-[tri(propan-2-yl)silyloxymethyl]-2-bicyclo[2.2.1]hept-5-enyl]methoxy]silane
CID 162415650
CID 178270072
CID 178270072
rel-trimethyl[(3aR,4S,7R,7aR)-3a,4,7,7a-tetrahydro-1H-4,7-methanoinden-6-yloxy]silane
CID 639624

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]but-3-enoxy]-tert-butyl-dimethylsilane?
The IUPAC name of [(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]but-3-enoxy]-tert-butyl-dimethylsilane (CID 10891205) is [(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]but-3-enoxy]-tert-butyl-dimethylsilane.
What is the SMILES notation for [(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]but-3-enoxy]-tert-butyl-dimethylsilane?
The canonical SMILES for [(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]but-3-enoxy]-tert-butyl-dimethylsilane is C=CC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1C[C@H]2C=C[C@@H]1C2.
What is the InChIKey of [(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]but-3-enoxy]-tert-butyl-dimethylsilane?
The InChIKey is BPQBNZGENSLRAA-XUWVNRHRSA-N. The full InChI is InChI=1S/C17H30OSi/c1-7-8-16(18-19(5,6)17(2,3)4)15-12-13-9-10-14(15)11-13/h7,9-10,13-16H,1,8,11-12H2,2-6H3/t13-,14+,15-,16+/m0/s1.
What are the key properties of [(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]but-3-enoxy]-tert-butyl-dimethylsilane?
[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]but-3-enoxy]-tert-butyl-dimethylsilane has a molecular weight of 278.51 g/mol, XLogP of 5.17, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]but-3-enoxy]-tert-butyl-dimethylsilane is sourced from PubChem (CID 10891205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).