tert-butyl-[(4E)-3-ethenyl-4-hexylidenecyclopent-2-en-1-yl]oxy-dimethylsilane

C19H34OSi — CID 134982967

IUPACtert-butyl-[(4E)-3-ethenyl-4-hexylidenecyclopent-2-en-1-yl]oxy-dimethylsilane
SMILESC=CC1=CC(O[Si](C)(C)C(C)(C)C)C/C1=C\CCCCC
InChIInChI=1S/C19H34OSi/c1-8-10-11-12-13-17-15-18(14-16(17)9-2)20-21(6,7)19(3,4)5/h9,13-14,18H,2,8,10-12,15H2,1,3-7H3/b17-13+
InChIKeyNMCXJPQDHUTPBQ-GHRIWEEISA-N
MW306.57 g/mol
LogP6.40
Rot. Bonds7

About tert-butyl-[(4E)-3-ethenyl-4-hexylidenecyclopent-2-en-1-yl]oxy-dimethylsilane

tert-butyl-[(4E)-3-ethenyl-4-hexylidenecyclopent-2-en-1-yl]oxy-dimethylsilane (PubChem CID 134982967) has the molecular formula C19H34OSi and a molecular weight of 306.57 g/mol. Its IUPAC name is tert-butyl-[(4E)-3-ethenyl-4-hexylidenecyclopent-2-en-1-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(4E)-3-ethenyl-4-hexylidenecyclopent-2-en-1-yl]oxy-dimethylsilane
PubChem CID134982967
Molecular FormulaC19H34OSi
Molecular Weight306.57 g/mol
Exact Mass306.24
IUPAC Nametert-butyl-[(4E)-3-ethenyl-4-hexylidenecyclopent-2-en-1-yl]oxy-dimethylsilane
SMILESC=CC1=CC(O[Si](C)(C)C(C)(C)C)C/C1=C\CCCCC
InChIInChI=1S/C19H34OSi/c1-8-10-11-12-13-17-15-18(14-16(17)9-2)20-21(6,7)19(3,4)5/h9,13-14,18H,2,8,10-12,15H2,1,3-7H3/b17-13+
InChIKeyNMCXJPQDHUTPBQ-GHRIWEEISA-N
XLogP6.40
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.57
LogP ≤ 56.40
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'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(4E)-3-ethenyl-4-hexylidenecyclopent-2-en-1-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(4E)-3-ethenyl-4-hexylidenecyclopent-2-en-1-yl]oxy-dimethylsilane (CID 134982967) is tert-butyl-[(4E)-3-ethenyl-4-hexylidenecyclopent-2-en-1-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(4E)-3-ethenyl-4-hexylidenecyclopent-2-en-1-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(4E)-3-ethenyl-4-hexylidenecyclopent-2-en-1-yl]oxy-dimethylsilane is C=CC1=CC(O[Si](C)(C)C(C)(C)C)C/C1=C\CCCCC.
What is the InChIKey of tert-butyl-[(4E)-3-ethenyl-4-hexylidenecyclopent-2-en-1-yl]oxy-dimethylsilane?
The InChIKey is NMCXJPQDHUTPBQ-GHRIWEEISA-N. The full InChI is InChI=1S/C19H34OSi/c1-8-10-11-12-13-17-15-18(14-16(17)9-2)20-21(6,7)19(3,4)5/h9,13-14,18H,2,8,10-12,15H2,1,3-7H3/b17-13+.
What are the key properties of tert-butyl-[(4E)-3-ethenyl-4-hexylidenecyclopent-2-en-1-yl]oxy-dimethylsilane?
tert-butyl-[(4E)-3-ethenyl-4-hexylidenecyclopent-2-en-1-yl]oxy-dimethylsilane has a molecular weight of 306.57 g/mol, XLogP of 6.40, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(4E)-3-ethenyl-4-hexylidenecyclopent-2-en-1-yl]oxy-dimethylsilane is sourced from PubChem (CID 134982967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).