[(1S,3aS,4Z,8Z,9aS)-4-methyl-2,3,3a,6,7,9a-hexahydro-1H-cyclopenta[8]annulen-1-yl]oxy-tert-butyl-dimethylsilane

C18H32OSi — CID 10565611

IUPAC[(1S,3aS,4Z,8Z,9aS)-4-methyl-2,3,3a,6,7,9a-hexahydro-1H-cyclopenta[8]annulen-1-yl]oxy-tert-butyl-dimethylsilane
SMILESC/C1=C/CC/C=C\[C@@H]2[C@@H](O[Si](C)(C)C(C)(C)C)CC[C@H]12
InChIInChI=1S/C18H32OSi/c1-14-10-8-7-9-11-16-15(14)12-13-17(16)19-20(5,6)18(2,3)4/h9-11,15-17H,7-8,12-13H2,1-6H3/b11-9-,14-10-/t15-,16+,17+/m1/s1
InChIKeyXLULYGSKQWPPPM-TWYZPFCHSA-N
MW292.54 g/mol
LogP5.70
Rot. Bonds2

About [(1S,3aS,4Z,8Z,9aS)-4-methyl-2,3,3a,6,7,9a-hexahydro-1H-cyclopenta[8]annulen-1-yl]oxy-tert-butyl-dimethylsilane

[(1S,3aS,4Z,8Z,9aS)-4-methyl-2,3,3a,6,7,9a-hexahydro-1H-cyclopenta[8]annulen-1-yl]oxy-tert-butyl-dimethylsilane (PubChem CID 10565611) has the molecular formula C18H32OSi and a molecular weight of 292.54 g/mol. Its IUPAC name is [(1S,3aS,4Z,8Z,9aS)-4-methyl-2,3,3a,6,7,9a-hexahydro-1H-cyclopenta[8]annulen-1-yl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(1S,3aS,4Z,8Z,9aS)-4-methyl-2,3,3a,6,7,9a-hexahydro-1H-cyclopenta[8]annulen-1-yl]oxy-tert-butyl-dimethylsilane
PubChem CID10565611
Molecular FormulaC18H32OSi
Molecular Weight292.54 g/mol
Exact Mass292.22
IUPAC Name[(1S,3aS,4Z,8Z,9aS)-4-methyl-2,3,3a,6,7,9a-hexahydro-1H-cyclopenta[8]annulen-1-yl]oxy-tert-butyl-dimethylsilane
SMILESC/C1=C/CC/C=C\[C@@H]2[C@@H](O[Si](C)(C)C(C)(C)C)CC[C@H]12
InChIInChI=1S/C18H32OSi/c1-14-10-8-7-9-11-16-15(14)12-13-17(16)19-20(5,6)18(2,3)4/h9-11,15-17H,7-8,12-13H2,1-6H3/b11-9-,14-10-/t15-,16+,17+/m1/s1
InChIKeyXLULYGSKQWPPPM-TWYZPFCHSA-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'}

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Related Compounds

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
[(2S,3aR,6aS)-5-methyl-1,2,3,3a,4,6a-hexahydropentalen-2-yl]oxy-tert-butyl-dimethylsilane
CID 24896923
(3a,4-Dimethyl-1,2,3,6,7,7a-hexahydroinden-1-yl)oxy-tert-butyl-dimethylsilane
CID 75218881
tert-butyl-[(Z)-1-[(1S,2S)-2-ethylcyclopentyl]oct-1-en-3-yl]oxy-dimethylsilane
CID 134849881
[(1S,3aR,5S,7aR)-5-methyl-2,3,3a,4,5,7a-hexahydro-1H-inden-1-yl]oxy-tert-butyl-dimethylsilane
CID 134899502
[(1S,3aR,8aS)-4-methyl-7-propan-2-yl-1,2,3,3a,6,8a-hexahydroazulen-1-yl]oxy-tert-butyl-dimethylsilane
CID 134957299
tert-butyl-dimethyl-[(3S,4S)-2-methyl-4-(2-methylprop-1-enyl)octan-3-yl]oxysilane
CID 134979489
[(1S,2S)-2-ethenyl-1-methyl-3-propan-2-ylidenecyclopentyl]oxy-tri(propan-2-yl)silane
CID 135020043
tert-butyl-dimethyl-[(5S,6S)-6-(2-methylprop-1-enyl)decan-5-yl]oxysilane
CID 139263530
[(1S,3R,3aR,9aS)-1,3-bis(ethenyl)-2,3,3a,4,5,6,7,8,9,9a-decahydro-1H-cyclopenta[8]annulen-2-yl]oxy-tert-butyl-dimethylsilane
CID 162406166
[(3aR,7aS)-5-methyl-2,3,3a,4,7,7a-hexahydro-1H-inden-1-yl]oxy-tert-butyl-dimethylsilane
CID 11242587

Frequently Asked Questions

What is the IUPAC name of [(1S,3aS,4Z,8Z,9aS)-4-methyl-2,3,3a,6,7,9a-hexahydro-1H-cyclopenta[8]annulen-1-yl]oxy-tert-butyl-dimethylsilane?
The IUPAC name of [(1S,3aS,4Z,8Z,9aS)-4-methyl-2,3,3a,6,7,9a-hexahydro-1H-cyclopenta[8]annulen-1-yl]oxy-tert-butyl-dimethylsilane (CID 10565611) is [(1S,3aS,4Z,8Z,9aS)-4-methyl-2,3,3a,6,7,9a-hexahydro-1H-cyclopenta[8]annulen-1-yl]oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(1S,3aS,4Z,8Z,9aS)-4-methyl-2,3,3a,6,7,9a-hexahydro-1H-cyclopenta[8]annulen-1-yl]oxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(1S,3aS,4Z,8Z,9aS)-4-methyl-2,3,3a,6,7,9a-hexahydro-1H-cyclopenta[8]annulen-1-yl]oxy-tert-butyl-dimethylsilane is C/C1=C/CC/C=C\[C@@H]2[C@@H](O[Si](C)(C)C(C)(C)C)CC[C@H]12.
What is the InChIKey of [(1S,3aS,4Z,8Z,9aS)-4-methyl-2,3,3a,6,7,9a-hexahydro-1H-cyclopenta[8]annulen-1-yl]oxy-tert-butyl-dimethylsilane?
The InChIKey is XLULYGSKQWPPPM-TWYZPFCHSA-N. The full InChI is InChI=1S/C18H32OSi/c1-14-10-8-7-9-11-16-15(14)12-13-17(16)19-20(5,6)18(2,3)4/h9-11,15-17H,7-8,12-13H2,1-6H3/b11-9-,14-10-/t15-,16+,17+/m1/s1.
What are the key properties of [(1S,3aS,4Z,8Z,9aS)-4-methyl-2,3,3a,6,7,9a-hexahydro-1H-cyclopenta[8]annulen-1-yl]oxy-tert-butyl-dimethylsilane?
[(1S,3aS,4Z,8Z,9aS)-4-methyl-2,3,3a,6,7,9a-hexahydro-1H-cyclopenta[8]annulen-1-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 [(1S,3aS,4Z,8Z,9aS)-4-methyl-2,3,3a,6,7,9a-hexahydro-1H-cyclopenta[8]annulen-1-yl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 10565611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).