tert-butyl-[(Z)-1-[(1S,2S)-2-ethylcyclopentyl]oct-1-en-3-yl]oxy-dimethylsilane

C21H42OSi — CID 134849881

IUPACtert-butyl-[(Z)-1-[(1S,2S)-2-ethylcyclopentyl]oct-1-en-3-yl]oxy-dimethylsilane
SMILESCCCCCC(/C=C\[C@H]1CCC[C@@H]1CC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H42OSi/c1-8-10-11-15-20(22-23(6,7)21(3,4)5)17-16-19-14-12-13-18(19)9-2/h16-20H,8-15H2,1-7H3/b17-16-/t18-,19+,20?/m0/s1
InChIKeyJALZQUUMABPDAC-BBEFTVMTSA-N
MW338.65 g/mol
LogP7.34
Rot. Bonds9

About tert-butyl-[(Z)-1-[(1S,2S)-2-ethylcyclopentyl]oct-1-en-3-yl]oxy-dimethylsilane

tert-butyl-[(Z)-1-[(1S,2S)-2-ethylcyclopentyl]oct-1-en-3-yl]oxy-dimethylsilane (PubChem CID 134849881) has the molecular formula C21H42OSi and a molecular weight of 338.65 g/mol. Its IUPAC name is tert-butyl-[(Z)-1-[(1S,2S)-2-ethylcyclopentyl]oct-1-en-3-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(Z)-1-[(1S,2S)-2-ethylcyclopentyl]oct-1-en-3-yl]oxy-dimethylsilane
PubChem CID134849881
Molecular FormulaC21H42OSi
Molecular Weight338.65 g/mol
Exact Mass338.30
IUPAC Nametert-butyl-[(Z)-1-[(1S,2S)-2-ethylcyclopentyl]oct-1-en-3-yl]oxy-dimethylsilane
SMILESCCCCCC(/C=C\[C@H]1CCC[C@@H]1CC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H42OSi/c1-8-10-11-15-20(22-23(6,7)21(3,4)5)17-16-19-14-12-13-18(19)9-2/h16-20H,8-15H2,1-7H3/b17-16-/t18-,19+,20?/m0/s1
InChIKeyJALZQUUMABPDAC-BBEFTVMTSA-N
XLogP7.34
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.65
LogP ≤ 57.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

[(E,1S)-1-cyclohexyl-2-ethylpent-2-enoxy]-triethylsilane
CID 102515909
[(E,1S)-1-cyclohexylnon-2-enoxy]-triethylsilane
CID 102515912
Tert-butyl-(4-decyl-2-methylcyclopent-2-en-1-yl)oxy-dimethylsilane
CID 134905111
[(1S,3aR,8aS)-4-methyl-7-propan-2-yl-1,2,3,3a,6,8a-hexahydroazulen-1-yl]oxy-tert-butyl-dimethylsilane
CID 134957299
(4S,7R)-4-cyclohexyl-2,2-di(propan-2-yl)-7-[(E)-prop-1-enyl]-4,7-dihydro-1,3,2-dioxasilepine
CID 134999408
(4S,7S)-4-cyclohexyl-2,2-di(propan-2-yl)-7-[(E)-prop-1-enyl]-4,7-dihydro-1,3,2-dioxasilepine
CID 135000864
Tert-butyl-(5-hexyl-3-methylcyclopent-2-en-1-yl)oxy-dimethylsilane
CID 135070894
1-cyclohexylprop-2-enoxy-[(2E,5E)-hepta-2,5-dien-4-yl]oxy-di(propan-2-yl)silane
CID 135079746
tert-butyl-[(E)-1-cyclohexyloct-1-en-3-yl]oxy-dimethylsilane
CID 146167066
CID 178270072
CID 178270072
Tert-butyl-(7-cyclopent-2-en-1-ylheptan-3-yloxy)-dimethylsilane
CID 13924074
3-(3-[(1,1-Dimethylethyl)dimethylsiloxy]pent-1-yl)cyclopentene
CID 13924076

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(Z)-1-[(1S,2S)-2-ethylcyclopentyl]oct-1-en-3-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(Z)-1-[(1S,2S)-2-ethylcyclopentyl]oct-1-en-3-yl]oxy-dimethylsilane (CID 134849881) is tert-butyl-[(Z)-1-[(1S,2S)-2-ethylcyclopentyl]oct-1-en-3-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(Z)-1-[(1S,2S)-2-ethylcyclopentyl]oct-1-en-3-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(Z)-1-[(1S,2S)-2-ethylcyclopentyl]oct-1-en-3-yl]oxy-dimethylsilane is CCCCCC(/C=C\[C@H]1CCC[C@@H]1CC)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(Z)-1-[(1S,2S)-2-ethylcyclopentyl]oct-1-en-3-yl]oxy-dimethylsilane?
The InChIKey is JALZQUUMABPDAC-BBEFTVMTSA-N. The full InChI is InChI=1S/C21H42OSi/c1-8-10-11-15-20(22-23(6,7)21(3,4)5)17-16-19-14-12-13-18(19)9-2/h16-20H,8-15H2,1-7H3/b17-16-/t18-,19+,20?/m0/s1.
What are the key properties of tert-butyl-[(Z)-1-[(1S,2S)-2-ethylcyclopentyl]oct-1-en-3-yl]oxy-dimethylsilane?
tert-butyl-[(Z)-1-[(1S,2S)-2-ethylcyclopentyl]oct-1-en-3-yl]oxy-dimethylsilane has a molecular weight of 338.65 g/mol, XLogP of 7.34, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(Z)-1-[(1S,2S)-2-ethylcyclopentyl]oct-1-en-3-yl]oxy-dimethylsilane is sourced from PubChem (CID 134849881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).