[(2E)-13-bicyclo[10.2.1]pentadeca-1(15),2-dienyl]oxy-tert-butyl-dimethylsilane

C21H38OSi — CID 134982478

IUPAC[(2E)-13-bicyclo[10.2.1]pentadeca-1(15),2-dienyl]oxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC1CC2=CC1CCCCCCCC/C=C\2
InChIInChI=1S/C21H38OSi/c1-21(2,3)23(4,5)22-20-17-18-14-12-10-8-6-7-9-11-13-15-19(20)16-18/h12,14,16,19-20H,6-11,13,15,17H2,1-5H3/b14-12-
InChIKeyGZUUMHSIZITLEB-OWBHPGMISA-N
MW334.62 g/mol
LogP7.01
Rot. Bonds2

About [(2E)-13-bicyclo[10.2.1]pentadeca-1(15),2-dienyl]oxy-tert-butyl-dimethylsilane

[(2E)-13-bicyclo[10.2.1]pentadeca-1(15),2-dienyl]oxy-tert-butyl-dimethylsilane (PubChem CID 134982478) has the molecular formula C21H38OSi and a molecular weight of 334.62 g/mol. Its IUPAC name is [(2E)-13-bicyclo[10.2.1]pentadeca-1(15),2-dienyl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(2E)-13-bicyclo[10.2.1]pentadeca-1(15),2-dienyl]oxy-tert-butyl-dimethylsilane
PubChem CID134982478
Molecular FormulaC21H38OSi
Molecular Weight334.62 g/mol
Exact Mass334.27
IUPAC Name[(2E)-13-bicyclo[10.2.1]pentadeca-1(15),2-dienyl]oxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC1CC2=CC1CCCCCCCC/C=C\2
InChIInChI=1S/C21H38OSi/c1-21(2,3)23(4,5)22-20-17-18-14-12-10-8-6-7-9-11-13-15-19(20)16-18/h12,14,16,19-20H,6-11,13,15,17H2,1-5H3/b14-12-
InChIKeyGZUUMHSIZITLEB-OWBHPGMISA-N
XLogP7.01
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.62
LogP ≤ 57.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Tert-butyl-dimethyl-[8,8,8-trifluoro-1-(5-prop-2-enyl-4-triethylsilyloxycyclopenten-1-yl)octan-3-yl]oxysilane
CID 19835839
tert-butyl-dimethyl-[(3S,4R)-2-methyl-4-(2-methylprop-1-enyl)octan-3-yl]oxysilane
CID 11045214
tert-butyl-dimethyl-[(5S,6R)-6-(2-methylprop-1-enyl)decan-5-yl]oxysilane
CID 11077915
tert-butyl-[(1S)-1-[(1R,2E)-cycloundec-2-en-1-yl]but-3-ynoxy]-dimethylsilane
CID 11232927
[(2E,12R,13S)-13-bicyclo[10.2.1]pentadeca-1(15),2-dienyl]oxy-tert-butyl-dimethylsilane
CID 11302087
Tert-butyl-(8-cyclohex-3-en-1-yloctoxy)-dimethylsilane
CID 11313354
tert-butyl-[(6Z,8E)-henicosa-6,8-dien-11-yl]oxy-dimethylsilane
CID 11327675
Tert-butyl-[(3-decylcyclopenten-1-yl)methoxy]-dimethylsilane
CID 101011318
(3E,4S,5S)-2,2-ditert-butyl-4-cyclohexyl-3-ethylidene-5-propan-2-yloxasilolane
CID 101474218
tert-butyl-[1-[(2E)-cycloundec-2-en-1-yl]but-3-ynoxy]-dimethylsilane
CID 134887179
Tert-butyl-(4-decyl-2-methylcyclopent-2-en-1-yl)oxy-dimethylsilane
CID 134905111
triethyl-[[(3R,6R)-3-[(1R)-1-triethylsilyloxyethyl]-1,2,3,4,5,6-hexahydroazulen-6-yl]methoxy]silane
CID 134940845

Frequently Asked Questions

What is the IUPAC name of [(2E)-13-bicyclo[10.2.1]pentadeca-1(15),2-dienyl]oxy-tert-butyl-dimethylsilane?
The IUPAC name of [(2E)-13-bicyclo[10.2.1]pentadeca-1(15),2-dienyl]oxy-tert-butyl-dimethylsilane (CID 134982478) is [(2E)-13-bicyclo[10.2.1]pentadeca-1(15),2-dienyl]oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(2E)-13-bicyclo[10.2.1]pentadeca-1(15),2-dienyl]oxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(2E)-13-bicyclo[10.2.1]pentadeca-1(15),2-dienyl]oxy-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)OC1CC2=CC1CCCCCCCC/C=C\2.
What is the InChIKey of [(2E)-13-bicyclo[10.2.1]pentadeca-1(15),2-dienyl]oxy-tert-butyl-dimethylsilane?
The InChIKey is GZUUMHSIZITLEB-OWBHPGMISA-N. The full InChI is InChI=1S/C21H38OSi/c1-21(2,3)23(4,5)22-20-17-18-14-12-10-8-6-7-9-11-13-15-19(20)16-18/h12,14,16,19-20H,6-11,13,15,17H2,1-5H3/b14-12-.
What are the key properties of [(2E)-13-bicyclo[10.2.1]pentadeca-1(15),2-dienyl]oxy-tert-butyl-dimethylsilane?
[(2E)-13-bicyclo[10.2.1]pentadeca-1(15),2-dienyl]oxy-tert-butyl-dimethylsilane has a molecular weight of 334.62 g/mol, XLogP of 7.01, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E)-13-bicyclo[10.2.1]pentadeca-1(15),2-dienyl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 134982478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).