7-bicyclo[2.2.1]hept-2-enyloxy-tert-butyl-dimethylsilane

C13H24OSi — CID 15418774

IUPAC7-bicyclo[2.2.1]hept-2-enyloxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC1C2C=CC1CC2
InChIInChI=1S/C13H24OSi/c1-13(2,3)15(4,5)14-12-10-6-7-11(12)9-8-10/h6-7,10-12H,8-9H2,1-5H3
InChIKeyAJRIFAZTEFTLMR-UHFFFAOYSA-N
MW224.42 g/mol
LogP3.97
Rot. Bonds2

About 7-bicyclo[2.2.1]hept-2-enyloxy-tert-butyl-dimethylsilane

7-bicyclo[2.2.1]hept-2-enyloxy-tert-butyl-dimethylsilane (PubChem CID 15418774) has the molecular formula C13H24OSi and a molecular weight of 224.42 g/mol. Its IUPAC name is 7-bicyclo[2.2.1]hept-2-enyloxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name7-bicyclo[2.2.1]hept-2-enyloxy-tert-butyl-dimethylsilane
PubChem CID15418774
Molecular FormulaC13H24OSi
Molecular Weight224.42 g/mol
Exact Mass224.16
IUPAC Name7-bicyclo[2.2.1]hept-2-enyloxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC1C2C=CC1CC2
InChIInChI=1S/C13H24OSi/c1-13(2,3)15(4,5)14-12-10-6-7-11(12)9-8-10/h6-7,10-12H,8-9H2,1-5H3
InChIKeyAJRIFAZTEFTLMR-UHFFFAOYSA-N
XLogP3.97
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.42
LogP ≤ 53.97
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

[(1S,4R)-4-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-yl] acetate
CID 10978542
(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-ol
CID 24865686
tert-butyl-[(1R,4R)-4-chlorocyclohex-2-en-1-yl]oxy-dimethylsilane
CID 10658111
tert-butyl-[(1S,2S)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]oxy-dimethylsilane;tert-butyl-[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]oxy-dimethylsilane
CID 158464609
tert-butyl-cyclohept-4-en-1-yloxy-dimethylsilane
CID 11085508
tert-butyl-[(1R,4S)-4-methoxycyclopent-2-en-1-yl]oxy-dimethylsilane
CID 10728073
tert-butyl-cyclodec-2-en-1-yloxy-dimethylsilane
CID 68820963
tert-butyl-[(2Z)-cyclooct-2-en-1-yl]oxy-dimethylsilane
CID 12568500
(1R,2S,3R,6S,7R,8S)-6-[tert-butyl(dimethyl)silyl]oxytricyclo[6.2.1.02,7]undeca-4,9-dien-3-ol
CID 100948216
tert-butyl-dimethyl-[[(1R,2S,9R,10S,11R,14S)-15-tetracyclo[8.4.1.02,9.011,14]pentadecanyl]oxy]silane
CID 162408684
(1S,2S,4S,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexane-1,2-diol
CID 101111315
[(1S,4R)-7-bicyclo[2.2.1]hept-2-enyl]oxy-dimethyl-prop-2-enylsilane
CID 101348711

Frequently Asked Questions

What is the IUPAC name of 7-bicyclo[2.2.1]hept-2-enyloxy-tert-butyl-dimethylsilane?
The IUPAC name of 7-bicyclo[2.2.1]hept-2-enyloxy-tert-butyl-dimethylsilane (CID 15418774) is 7-bicyclo[2.2.1]hept-2-enyloxy-tert-butyl-dimethylsilane.
What is the SMILES notation for 7-bicyclo[2.2.1]hept-2-enyloxy-tert-butyl-dimethylsilane?
The canonical SMILES for 7-bicyclo[2.2.1]hept-2-enyloxy-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)OC1C2C=CC1CC2.
What is the InChIKey of 7-bicyclo[2.2.1]hept-2-enyloxy-tert-butyl-dimethylsilane?
The InChIKey is AJRIFAZTEFTLMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24OSi/c1-13(2,3)15(4,5)14-12-10-6-7-11(12)9-8-10/h6-7,10-12H,8-9H2,1-5H3.
What are the key properties of 7-bicyclo[2.2.1]hept-2-enyloxy-tert-butyl-dimethylsilane?
7-bicyclo[2.2.1]hept-2-enyloxy-tert-butyl-dimethylsilane has a molecular weight of 224.42 g/mol, XLogP of 3.97, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bicyclo[2.2.1]hept-2-enyloxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 15418774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).