[(4aS,5Z,9Z,10aS)-1,2,3,4,4a,7,8,10a-octahydrobenzo[8]annulen-3-yl]oxy-tert-butyl-dimethylsilane

C18H32OSi — CID 139250257

IUPAC[(4aS,5Z,9Z,10aS)-1,2,3,4,4a,7,8,10a-octahydrobenzo[8]annulen-3-yl]oxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC1CC[C@H]2/C=C\CC/C=C\[C@@H]2C1
InChIInChI=1S/C18H32OSi/c1-18(2,3)20(4,5)19-17-13-12-15-10-8-6-7-9-11-16(15)14-17/h8-11,15-17H,6-7,12-14H2,1-5H3/b10-8-,11-9-/t15-,16-,17?/m1/s1
InChIKeyAWCBRNRKANSRLC-OELKERQZSA-N
MW292.54 g/mol
LogP5.70
Rot. Bonds2

About [(4aS,5Z,9Z,10aS)-1,2,3,4,4a,7,8,10a-octahydrobenzo[8]annulen-3-yl]oxy-tert-butyl-dimethylsilane

[(4aS,5Z,9Z,10aS)-1,2,3,4,4a,7,8,10a-octahydrobenzo[8]annulen-3-yl]oxy-tert-butyl-dimethylsilane (PubChem CID 139250257) has the molecular formula C18H32OSi and a molecular weight of 292.54 g/mol. Its IUPAC name is [(4aS,5Z,9Z,10aS)-1,2,3,4,4a,7,8,10a-octahydrobenzo[8]annulen-3-yl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(4aS,5Z,9Z,10aS)-1,2,3,4,4a,7,8,10a-octahydrobenzo[8]annulen-3-yl]oxy-tert-butyl-dimethylsilane
PubChem CID139250257
Molecular FormulaC18H32OSi
Molecular Weight292.54 g/mol
Exact Mass292.22
IUPAC Name[(4aS,5Z,9Z,10aS)-1,2,3,4,4a,7,8,10a-octahydrobenzo[8]annulen-3-yl]oxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC1CC[C@H]2/C=C\CC/C=C\[C@@H]2C1
InChIInChI=1S/C18H32OSi/c1-18(2,3)20(4,5)19-17-13-12-15-10-8-6-7-9-11-16(15)14-17/h8-11,15-17H,6-7,12-14H2,1-5H3/b10-8-,11-9-/t15-,16-,17?/m1/s1
InChIKeyAWCBRNRKANSRLC-OELKERQZSA-N
XLogP5.70
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.54
LogP ≤ 55.70
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'}

Analyze [(4aS,5Z,9Z,10aS)-1,2,3,4,4a,7,8,10a-octahydrobenzo[8]annulen-3-yl]oxy-tert-butyl-dimethylsilane with MolForge

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Related Compounds

[(E,1S)-1-cyclohexylnon-2-enoxy]-triethylsilane
CID 102515912
[(1S,2S)-2-[(1E)-buta-1,3-dienyl]cyclohexyl]methoxy-tert-butyl-dimethylsilane
CID 134855624
tert-butyl-dimethyl-[[(1S,2S)-2-[(1E,3E)-penta-1,3-dienyl]cyclohexyl]methoxy]silane
CID 134855716
tert-butyl-[(E)-1-cyclohexyloct-1-en-3-yl]oxy-dimethylsilane
CID 146167066
Silane, (1,1-dimethylethyl)dimethyl((2-(2-methyl-2,5-dodecadienyl)cyclohexyl)oxy)-, (1alpha,2beta(2E,5E))-
CID 6442713
tert-butyl-dimethyl-[[(1R,2S)-2-[(1E,3E)-penta-1,3-dienyl]cyclohexyl]methoxy]silane
CID 10685251
tert-butyl-[(1S)-1-[(1S)-cyclohex-2-en-1-yl]-2-methylpropoxy]-dimethylsilane
CID 101186809
tert-butyl-dimethyl-[(1R,3R,5Z)-3-methyl-2-methylidene-5-propylidenecyclohexyl]oxysilane
CID 58529099
3a,4,5,6,7,7a-hexahydro-3H-inden-5-yloxy-tert-butyl-dimethylsilane
CID 58666124
3a,4,5,6,7,7a-hexahydro-3H-inden-4-yloxy(triethyl)silane
CID 70880476
(1R,3R,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[(E)-5-methylhex-1-enyl]cyclohexan-1-ol
CID 71177684
(Cyclohex-3-enyl(cyclohexyl)methoxy)triethylsilane
CID 131747136

Frequently Asked Questions

What is the IUPAC name of [(4aS,5Z,9Z,10aS)-1,2,3,4,4a,7,8,10a-octahydrobenzo[8]annulen-3-yl]oxy-tert-butyl-dimethylsilane?
The IUPAC name of [(4aS,5Z,9Z,10aS)-1,2,3,4,4a,7,8,10a-octahydrobenzo[8]annulen-3-yl]oxy-tert-butyl-dimethylsilane (CID 139250257) is [(4aS,5Z,9Z,10aS)-1,2,3,4,4a,7,8,10a-octahydrobenzo[8]annulen-3-yl]oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(4aS,5Z,9Z,10aS)-1,2,3,4,4a,7,8,10a-octahydrobenzo[8]annulen-3-yl]oxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(4aS,5Z,9Z,10aS)-1,2,3,4,4a,7,8,10a-octahydrobenzo[8]annulen-3-yl]oxy-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)OC1CC[C@H]2/C=C\CC/C=C\[C@@H]2C1.
What is the InChIKey of [(4aS,5Z,9Z,10aS)-1,2,3,4,4a,7,8,10a-octahydrobenzo[8]annulen-3-yl]oxy-tert-butyl-dimethylsilane?
The InChIKey is AWCBRNRKANSRLC-OELKERQZSA-N. The full InChI is InChI=1S/C18H32OSi/c1-18(2,3)20(4,5)19-17-13-12-15-10-8-6-7-9-11-16(15)14-17/h8-11,15-17H,6-7,12-14H2,1-5H3/b10-8-,11-9-/t15-,16-,17?/m1/s1.
What are the key properties of [(4aS,5Z,9Z,10aS)-1,2,3,4,4a,7,8,10a-octahydrobenzo[8]annulen-3-yl]oxy-tert-butyl-dimethylsilane?
[(4aS,5Z,9Z,10aS)-1,2,3,4,4a,7,8,10a-octahydrobenzo[8]annulen-3-yl]oxy-tert-butyl-dimethylsilane has a molecular weight of 292.54 g/mol, XLogP of 5.70, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(4aS,5Z,9Z,10aS)-1,2,3,4,4a,7,8,10a-octahydrobenzo[8]annulen-3-yl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 139250257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).