tert-butyl-dimethyl-[[(1S,6R)-8-(prop-2-enoxymethyl)-1-bicyclo[4.2.0]oct-7-enyl]oxy]silane

C18H32O2Si — CID 101270897

IUPACtert-butyl-dimethyl-[[(1S,6R)-8-(prop-2-enoxymethyl)-1-bicyclo[4.2.0]oct-7-enyl]oxy]silane
SMILESC=CCOCC1=C[C@H]2CCCC[C@@]12O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H32O2Si/c1-7-12-19-14-16-13-15-10-8-9-11-18(15,16)20-21(5,6)17(2,3)4/h7,13,15H,1,8-12,14H2,2-6H3/t15-,18+/m1/s1
InChIKeyFUEUBPJJLUYAFX-QAPCUYQASA-N
MW308.54 g/mol
LogP5.08
Rot. Bonds6

About tert-butyl-dimethyl-[[(1S,6R)-8-(prop-2-enoxymethyl)-1-bicyclo[4.2.0]oct-7-enyl]oxy]silane

tert-butyl-dimethyl-[[(1S,6R)-8-(prop-2-enoxymethyl)-1-bicyclo[4.2.0]oct-7-enyl]oxy]silane (PubChem CID 101270897) has the molecular formula C18H32O2Si and a molecular weight of 308.54 g/mol. Its IUPAC name is tert-butyl-dimethyl-[[(1S,6R)-8-(prop-2-enoxymethyl)-1-bicyclo[4.2.0]oct-7-enyl]oxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[[(1S,6R)-8-(prop-2-enoxymethyl)-1-bicyclo[4.2.0]oct-7-enyl]oxy]silane
PubChem CID101270897
Molecular FormulaC18H32O2Si
Molecular Weight308.54 g/mol
Exact Mass308.22
IUPAC Nametert-butyl-dimethyl-[[(1S,6R)-8-(prop-2-enoxymethyl)-1-bicyclo[4.2.0]oct-7-enyl]oxy]silane
SMILESC=CCOCC1=C[C@H]2CCCC[C@@]12O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H32O2Si/c1-7-12-19-14-16-13-15-10-8-9-11-18(15,16)20-21(5,6)17(2,3)4/h7,13,15H,1,8-12,14H2,2-6H3/t15-,18+/m1/s1
InChIKeyFUEUBPJJLUYAFX-QAPCUYQASA-N
XLogP5.08
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
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-[(E)-3-cyclohexyl-2-[(2S,3S,6R)-3-methyl-6-[(E)-prop-1-enyl]oxan-2-yl]prop-2-enoxy]-dimethylsilane
CID 134900451
tert-butyl-dimethyl-[(E)-3-(1-prop-2-enoxy-2-prop-1-en-2-ylcyclohexyl)but-2-enoxy]silane
CID 135074719
tert-butyl-[2-[2-(2,6-dimethylhept-5-enyl)-3,6-dihydro-2H-pyran-6-yl]ethoxy]-dimethylsilane
CID 68706705
tert-butyl-dimethyl-[2-[(2R,6R)-2-[(2S)-2-methyl-4-(trimethylsilylmethyl)pent-4-enyl]-3,6-dihydro-2H-pyran-6-yl]ethoxy]silane
CID 11154128
tert-butyl-[2-[(2R,6R)-2-[(2S)-2,4-dimethylpent-4-enyl]-3,6-dihydro-2H-pyran-6-yl]ethoxy]-dimethylsilane
CID 11163570
tert-butyl-dimethyl-[(E)-3-[(1S,2S,5R)-5-methyl-1-prop-2-enoxy-2-prop-1-en-2-ylcyclohexyl]but-2-enoxy]silane
CID 11188127
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-[[8-(methoxymethyl)-7-trimethylsilyl-1-bicyclo[4.2.0]oct-7-enyl]oxy]-dimethylsilane
CID 100957889
[1-Methoxy-8-(methoxymethyl)-7-bicyclo[4.2.0]oct-7-enyl]-trimethylsilane
CID 100960137
Tert-butyl-[[8-(methoxymethyl)-7-methyl-1-bicyclo[4.2.0]oct-7-enyl]oxy]-dimethylsilane
CID 100960141
tert-butyl-dimethyl-[2-[(2R,6R)-2-[(2R)-2-methyl-4-(trimethylsilylmethyl)pent-4-enyl]-3,6-dihydro-2H-pyran-6-yl]ethoxy]silane
CID 101169861

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[[(1S,6R)-8-(prop-2-enoxymethyl)-1-bicyclo[4.2.0]oct-7-enyl]oxy]silane?
The IUPAC name of tert-butyl-dimethyl-[[(1S,6R)-8-(prop-2-enoxymethyl)-1-bicyclo[4.2.0]oct-7-enyl]oxy]silane (CID 101270897) is tert-butyl-dimethyl-[[(1S,6R)-8-(prop-2-enoxymethyl)-1-bicyclo[4.2.0]oct-7-enyl]oxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[[(1S,6R)-8-(prop-2-enoxymethyl)-1-bicyclo[4.2.0]oct-7-enyl]oxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[[(1S,6R)-8-(prop-2-enoxymethyl)-1-bicyclo[4.2.0]oct-7-enyl]oxy]silane is C=CCOCC1=C[C@H]2CCCC[C@@]12O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-[[(1S,6R)-8-(prop-2-enoxymethyl)-1-bicyclo[4.2.0]oct-7-enyl]oxy]silane?
The InChIKey is FUEUBPJJLUYAFX-QAPCUYQASA-N. The full InChI is InChI=1S/C18H32O2Si/c1-7-12-19-14-16-13-15-10-8-9-11-18(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 tert-butyl-dimethyl-[[(1S,6R)-8-(prop-2-enoxymethyl)-1-bicyclo[4.2.0]oct-7-enyl]oxy]silane?
tert-butyl-dimethyl-[[(1S,6R)-8-(prop-2-enoxymethyl)-1-bicyclo[4.2.0]oct-7-enyl]oxy]silane has a molecular weight of 308.54 g/mol, XLogP of 5.08, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[[(1S,6R)-8-(prop-2-enoxymethyl)-1-bicyclo[4.2.0]oct-7-enyl]oxy]silane is sourced from PubChem (CID 101270897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).