[(1S,5R)-7-(but-3-enoxymethyl)-1-bicyclo[3.2.0]hept-6-enyl]oxy-tert-butyl-dimethylsilane

C18H32O2Si — CID 101270899

IUPAC[(1S,5R)-7-(but-3-enoxymethyl)-1-bicyclo[3.2.0]hept-6-enyl]oxy-tert-butyl-dimethylsilane
SMILESC=CCCOCC1=C[C@H]2CCC[C@@]12O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H32O2Si/c1-7-8-12-19-14-16-13-15-10-9-11-18(15,16)20-21(5,6)17(2,3)4/h7,13,15H,1,8-12,14H2,2-6H3/t15-,18+/m1/s1
InChIKeyKUVIJVJUHCROIE-QAPCUYQASA-N
MW308.54 g/mol
LogP5.08
Rot. Bonds7

About [(1S,5R)-7-(but-3-enoxymethyl)-1-bicyclo[3.2.0]hept-6-enyl]oxy-tert-butyl-dimethylsilane

[(1S,5R)-7-(but-3-enoxymethyl)-1-bicyclo[3.2.0]hept-6-enyl]oxy-tert-butyl-dimethylsilane (PubChem CID 101270899) has the molecular formula C18H32O2Si and a molecular weight of 308.54 g/mol. Its IUPAC name is [(1S,5R)-7-(but-3-enoxymethyl)-1-bicyclo[3.2.0]hept-6-enyl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(1S,5R)-7-(but-3-enoxymethyl)-1-bicyclo[3.2.0]hept-6-enyl]oxy-tert-butyl-dimethylsilane
PubChem CID101270899
Molecular FormulaC18H32O2Si
Molecular Weight308.54 g/mol
Exact Mass308.22
IUPAC Name[(1S,5R)-7-(but-3-enoxymethyl)-1-bicyclo[3.2.0]hept-6-enyl]oxy-tert-butyl-dimethylsilane
SMILESC=CCCOCC1=C[C@H]2CCC[C@@]12O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H32O2Si/c1-7-8-12-19-14-16-13-15-10-9-11-18(15,16)20-21(5,6)17(2,3)4/h7,13,15H,1,8-12,14H2,2-6H3/t15-,18+/m1/s1
InChIKeyKUVIJVJUHCROIE-QAPCUYQASA-N
XLogP5.08
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.54
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-dimethyl-[[(1S,5R)-7-(prop-2-enoxymethyl)-1-bicyclo[3.2.0]hept-6-enyl]oxy]silane
CID 12111604
[2-[(5R,9S)-2,2-dimethyl-1-oxaspiro[4.4]non-3-en-9-yl]-3-methylbut-2-enyl]-trimethylsilane
CID 10017243
tert-butyl-dimethyl-[[(1S,8S,9R)-9-methyl-12-oxatricyclo[7.2.1.01,5]dodec-5-en-8-yl]methoxy]silane
CID 10381487
[2-cyclohexylidene-2-[(2R,5R,6R,9S)-2,6-dimethyl-1-oxaspiro[4.4]non-3-en-9-yl]ethyl]-trimethylsilane
CID 10711669
tert-butyl-[(1S,2R)-1-(2,5-dihydrofuran-3-yl)-2-ethenylcyclopentyl]oxy-dimethylsilane
CID 12111605
tert-butyl-[(1S,2R)-1-(2,5-dihydrofuran-3-yl)-2-ethenylcyclohexyl]oxy-dimethylsilane
CID 12111606
3-[(1R,3aS,4R,5Z,8R,9E)-1-methyl-4-propyl-1,3,3a,4,7,8-hexahydrocycloocta[c]furan-8-yl]propoxy-tert-butyl-dimethylsilane
CID 15807664
Tert-butyl-[[7-(methoxymethyl)-6-trimethylsilyl-1-bicyclo[3.2.0]hept-6-enyl]oxy]-dimethylsilane
CID 100957902
Tert-butyl-[[7-(methoxymethyl)-6-methyl-1-bicyclo[3.2.0]hept-6-enyl]oxy]-dimethylsilane
CID 100957903
[1-Methoxy-7-(methoxymethyl)-6-bicyclo[3.2.0]hept-6-enyl]-trimethylsilane
CID 100957904
tert-butyl-dimethyl-[[(1S,6R)-8-(prop-2-enoxymethyl)-1-bicyclo[4.2.0]oct-7-enyl]oxy]silane
CID 101270897
tert-butyl-dimethyl-[[(1S,7R)-9-(prop-2-enoxymethyl)-1-bicyclo[5.2.0]non-8-enyl]oxy]silane
CID 101270898

Frequently Asked Questions

What is the IUPAC name of [(1S,5R)-7-(but-3-enoxymethyl)-1-bicyclo[3.2.0]hept-6-enyl]oxy-tert-butyl-dimethylsilane?
The IUPAC name of [(1S,5R)-7-(but-3-enoxymethyl)-1-bicyclo[3.2.0]hept-6-enyl]oxy-tert-butyl-dimethylsilane (CID 101270899) is [(1S,5R)-7-(but-3-enoxymethyl)-1-bicyclo[3.2.0]hept-6-enyl]oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(1S,5R)-7-(but-3-enoxymethyl)-1-bicyclo[3.2.0]hept-6-enyl]oxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(1S,5R)-7-(but-3-enoxymethyl)-1-bicyclo[3.2.0]hept-6-enyl]oxy-tert-butyl-dimethylsilane is C=CCCOCC1=C[C@H]2CCC[C@@]12O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(1S,5R)-7-(but-3-enoxymethyl)-1-bicyclo[3.2.0]hept-6-enyl]oxy-tert-butyl-dimethylsilane?
The InChIKey is KUVIJVJUHCROIE-QAPCUYQASA-N. The full InChI is InChI=1S/C18H32O2Si/c1-7-8-12-19-14-16-13-15-10-9-11-18(15,16)20-21(5,6)17(2,3)4/h7,13,15H,1,8-12,14H2,2-6H3/t15-,18+/m1/s1.
What are the key properties of [(1S,5R)-7-(but-3-enoxymethyl)-1-bicyclo[3.2.0]hept-6-enyl]oxy-tert-butyl-dimethylsilane?
[(1S,5R)-7-(but-3-enoxymethyl)-1-bicyclo[3.2.0]hept-6-enyl]oxy-tert-butyl-dimethylsilane has a molecular weight of 308.54 g/mol, XLogP of 5.08, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,5R)-7-(but-3-enoxymethyl)-1-bicyclo[3.2.0]hept-6-enyl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 101270899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).