[(4E)-4-benzylideneoct-1-ynyl]-trimethylsilane

C18H26Si — CID 101369380

IUPAC[(4E)-4-benzylideneoct-1-ynyl]-trimethylsilane
SMILESCCCC/C(=C\c1ccccc1)CC#C[Si](C)(C)C
InChIInChI=1S/C18H26Si/c1-5-6-11-17(14-10-15-19(2,3)4)16-18-12-8-7-9-13-18/h7-9,12-13,16H,5-6,11,14H2,1-4H3/b17-16+
InChIKeyDAXHMGFMSQUZJW-WUKNDPDISA-N
MW270.49 g/mol
LogP5.53
Rot. Bonds5

About [(4E)-4-benzylideneoct-1-ynyl]-trimethylsilane

[(4E)-4-benzylideneoct-1-ynyl]-trimethylsilane (PubChem CID 101369380) has the molecular formula C18H26Si and a molecular weight of 270.49 g/mol. Its IUPAC name is [(4E)-4-benzylideneoct-1-ynyl]-trimethylsilane.

Molecular Properties

Compound Name[(4E)-4-benzylideneoct-1-ynyl]-trimethylsilane
PubChem CID101369380
Molecular FormulaC18H26Si
Molecular Weight270.49 g/mol
Exact Mass270.18
IUPAC Name[(4E)-4-benzylideneoct-1-ynyl]-trimethylsilane
SMILESCCCC/C(=C\c1ccccc1)CC#C[Si](C)(C)C
InChIInChI=1S/C18H26Si/c1-5-6-11-17(14-10-15-19(2,3)4)16-18-12-8-7-9-13-18/h7-9,12-13,16H,5-6,11,14H2,1-4H3/b17-16+
InChIKeyDAXHMGFMSQUZJW-WUKNDPDISA-N
XLogP5.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.49
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

(2E)-2-benzylidenehexanoic acid
CID 5354388
2-(chloromethyl)oct-1-enylbenzene
CID 69226716
[(E)-1-phenylhex-1-en-2-yl]benzene
CID 11791205
2-(methoxymethyl)dec-1-enylbenzene
CID 173133002
2-(1,2-diphenylethenyl)hex-1-enyl-trimethylsilane
CID 10437633
[(3Z)-3-[(Z)-2,3-diphenylprop-2-enylidene]non-1-ynyl]-trimethylsilane
CID 102204409
3-benzylideneoctanoate
CID 20981574
2-[(E,4E)-4-benzylideneoct-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 102415954
(2E)-2-benzylideneheptanoic acid
CID 14318164
[(2Z)-2-benzylideneheptyl] acetate
CID 5371723
(2Z)-2-benzylidenehexanoate
CID 21157937
2-benzylideneheptyl butanoate
CID 3018207

Frequently Asked Questions

What is the IUPAC name of [(4E)-4-benzylideneoct-1-ynyl]-trimethylsilane?
The IUPAC name of [(4E)-4-benzylideneoct-1-ynyl]-trimethylsilane (CID 101369380) is [(4E)-4-benzylideneoct-1-ynyl]-trimethylsilane.
What is the SMILES notation for [(4E)-4-benzylideneoct-1-ynyl]-trimethylsilane?
The canonical SMILES for [(4E)-4-benzylideneoct-1-ynyl]-trimethylsilane is CCCC/C(=C\c1ccccc1)CC#C[Si](C)(C)C.
What is the InChIKey of [(4E)-4-benzylideneoct-1-ynyl]-trimethylsilane?
The InChIKey is DAXHMGFMSQUZJW-WUKNDPDISA-N. The full InChI is InChI=1S/C18H26Si/c1-5-6-11-17(14-10-15-19(2,3)4)16-18-12-8-7-9-13-18/h7-9,12-13,16H,5-6,11,14H2,1-4H3/b17-16+.
What are the key properties of [(4E)-4-benzylideneoct-1-ynyl]-trimethylsilane?
[(4E)-4-benzylideneoct-1-ynyl]-trimethylsilane has a molecular weight of 270.49 g/mol, XLogP of 5.53, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(4E)-4-benzylideneoct-1-ynyl]-trimethylsilane is sourced from PubChem (CID 101369380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).