tert-butyl-(5-hexyl-3-methylcyclopent-2-en-1-yl)oxy-dimethylsilane

C18H36OSi — CID 135070894

IUPACtert-butyl-(5-hexyl-3-methylcyclopent-2-en-1-yl)oxy-dimethylsilane
SMILESCCCCCCC1CC(C)=CC1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H36OSi/c1-8-9-10-11-12-16-13-15(2)14-17(16)19-20(6,7)18(3,4)5/h14,16-17H,8-13H2,1-7H3
InChIKeyLTTAEUMOLNHAQH-UHFFFAOYSA-N
MW296.57 g/mol
LogP6.31
Rot. Bonds7

About tert-butyl-(5-hexyl-3-methylcyclopent-2-en-1-yl)oxy-dimethylsilane

tert-butyl-(5-hexyl-3-methylcyclopent-2-en-1-yl)oxy-dimethylsilane (PubChem CID 135070894) has the molecular formula C18H36OSi and a molecular weight of 296.57 g/mol. Its IUPAC name is tert-butyl-(5-hexyl-3-methylcyclopent-2-en-1-yl)oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-(5-hexyl-3-methylcyclopent-2-en-1-yl)oxy-dimethylsilane
PubChem CID135070894
Molecular FormulaC18H36OSi
Molecular Weight296.57 g/mol
Exact Mass296.25
IUPAC Nametert-butyl-(5-hexyl-3-methylcyclopent-2-en-1-yl)oxy-dimethylsilane
SMILESCCCCCCC1CC(C)=CC1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H36OSi/c1-8-9-10-11-12-16-13-15(2)14-17(16)19-20(6,7)18(3,4)5/h14,16-17H,8-13H2,1-7H3
InChIKeyLTTAEUMOLNHAQH-UHFFFAOYSA-N
XLogP6.31
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.57
LogP ≤ 56.31
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

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CID 11302087
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CID 23727931
Tert-butyl-[(3-decylcyclopenten-1-yl)methoxy]-dimethylsilane
CID 101011318
(6S)-6-cyclohexyl-2,2,5-trimethyl-3,6-dihydrooxasiline
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Frequently Asked Questions

What is the IUPAC name of tert-butyl-(5-hexyl-3-methylcyclopent-2-en-1-yl)oxy-dimethylsilane?
The IUPAC name of tert-butyl-(5-hexyl-3-methylcyclopent-2-en-1-yl)oxy-dimethylsilane (CID 135070894) is tert-butyl-(5-hexyl-3-methylcyclopent-2-en-1-yl)oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-(5-hexyl-3-methylcyclopent-2-en-1-yl)oxy-dimethylsilane?
The canonical SMILES for tert-butyl-(5-hexyl-3-methylcyclopent-2-en-1-yl)oxy-dimethylsilane is CCCCCCC1CC(C)=CC1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-(5-hexyl-3-methylcyclopent-2-en-1-yl)oxy-dimethylsilane?
The InChIKey is LTTAEUMOLNHAQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36OSi/c1-8-9-10-11-12-16-13-15(2)14-17(16)19-20(6,7)18(3,4)5/h14,16-17H,8-13H2,1-7H3.
What are the key properties of tert-butyl-(5-hexyl-3-methylcyclopent-2-en-1-yl)oxy-dimethylsilane?
tert-butyl-(5-hexyl-3-methylcyclopent-2-en-1-yl)oxy-dimethylsilane has a molecular weight of 296.57 g/mol, XLogP of 6.31, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(5-hexyl-3-methylcyclopent-2-en-1-yl)oxy-dimethylsilane is sourced from PubChem (CID 135070894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).