tert-butyl-(5-cyclopentylidenecyclooctyl)oxy-dimethylsilane

C19H36OSi — CID 10638575

IUPACtert-butyl-(5-cyclopentylidenecyclooctyl)oxy-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC1CCCC(=C2CCCC2)CCC1
InChIInChI=1S/C19H36OSi/c1-19(2,3)21(4,5)20-18-14-8-12-17(13-9-15-18)16-10-6-7-11-16/h18H,6-15H2,1-5H3
InChIKeyNGGXIADSOFPNCI-UHFFFAOYSA-N
MW308.58 g/mol
LogP6.60
Rot. Bonds2

About tert-butyl-(5-cyclopentylidenecyclooctyl)oxy-dimethylsilane

tert-butyl-(5-cyclopentylidenecyclooctyl)oxy-dimethylsilane (PubChem CID 10638575) has the molecular formula C19H36OSi and a molecular weight of 308.58 g/mol. Its IUPAC name is tert-butyl-(5-cyclopentylidenecyclooctyl)oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-(5-cyclopentylidenecyclooctyl)oxy-dimethylsilane
PubChem CID10638575
Molecular FormulaC19H36OSi
Molecular Weight308.58 g/mol
Exact Mass308.25
IUPAC Nametert-butyl-(5-cyclopentylidenecyclooctyl)oxy-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC1CCCC(=C2CCCC2)CCC1
InChIInChI=1S/C19H36OSi/c1-19(2,3)21(4,5)20-18-14-8-12-17(13-9-15-18)16-10-6-7-11-16/h18H,6-15H2,1-5H3
InChIKeyNGGXIADSOFPNCI-UHFFFAOYSA-N
XLogP6.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.58
LogP ≤ 56.60
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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Frequently Asked Questions

What is the IUPAC name of tert-butyl-(5-cyclopentylidenecyclooctyl)oxy-dimethylsilane?
The IUPAC name of tert-butyl-(5-cyclopentylidenecyclooctyl)oxy-dimethylsilane (CID 10638575) is tert-butyl-(5-cyclopentylidenecyclooctyl)oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-(5-cyclopentylidenecyclooctyl)oxy-dimethylsilane?
The canonical SMILES for tert-butyl-(5-cyclopentylidenecyclooctyl)oxy-dimethylsilane is CC(C)(C)[Si](C)(C)OC1CCCC(=C2CCCC2)CCC1.
What is the InChIKey of tert-butyl-(5-cyclopentylidenecyclooctyl)oxy-dimethylsilane?
The InChIKey is NGGXIADSOFPNCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36OSi/c1-19(2,3)21(4,5)20-18-14-8-12-17(13-9-15-18)16-10-6-7-11-16/h18H,6-15H2,1-5H3.
What are the key properties of tert-butyl-(5-cyclopentylidenecyclooctyl)oxy-dimethylsilane?
tert-butyl-(5-cyclopentylidenecyclooctyl)oxy-dimethylsilane has a molecular weight of 308.58 g/mol, XLogP of 6.60, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(5-cyclopentylidenecyclooctyl)oxy-dimethylsilane is sourced from PubChem (CID 10638575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).