[(E)-3,4-diphenylbut-3-en-1-ynyl]-trimethylsilane

C19H20Si — CID 135024613

IUPAC[(E)-3,4-diphenylbut-3-en-1-ynyl]-trimethylsilane
SMILESC[Si](C)(C)C#C/C(=C/c1ccccc1)c1ccccc1
InChIInChI=1S/C19H20Si/c1-20(2,3)15-14-19(18-12-8-5-9-13-18)16-17-10-6-4-7-11-17/h4-13,16H,1-3H3/b19-16-
InChIKeyDSKZXRGGLXJLMT-MNDPQUGUSA-N
MW276.46 g/mol
LogP5.11
Rot. Bonds2

About [(E)-3,4-diphenylbut-3-en-1-ynyl]-trimethylsilane

[(E)-3,4-diphenylbut-3-en-1-ynyl]-trimethylsilane (PubChem CID 135024613) has the molecular formula C19H20Si and a molecular weight of 276.46 g/mol. Its IUPAC name is [(E)-3,4-diphenylbut-3-en-1-ynyl]-trimethylsilane.

Molecular Properties

Compound Name[(E)-3,4-diphenylbut-3-en-1-ynyl]-trimethylsilane
PubChem CID135024613
Molecular FormulaC19H20Si
Molecular Weight276.46 g/mol
Exact Mass276.13
IUPAC Name[(E)-3,4-diphenylbut-3-en-1-ynyl]-trimethylsilane
SMILESC[Si](C)(C)C#C/C(=C/c1ccccc1)c1ccccc1
InChIInChI=1S/C19H20Si/c1-20(2,3)15-14-19(18-12-8-5-9-13-18)16-17-10-6-4-7-11-17/h4-13,16H,1-3H3/b19-16-
InChIKeyDSKZXRGGLXJLMT-MNDPQUGUSA-N
XLogP5.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.46
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-[(E)-3,4-diphenylbut-3-en-1-ynyl]-dimethylsilane
CID 102080744
trimethyl-[(E)-3-phenyloct-3-en-1-ynyl]silane
CID 71663368
trimethyl-[(E,3Z)-5-phenyl-3-[phenyl(trimethylsilyl)methylidene]pent-4-en-1-ynyl]silane
CID 135024062
ethyl (E)-3-phenyl-5-trimethylsilylpent-2-en-4-ynoate
CID 87997933
[(Z)-5,5-bis(4-methoxyphenyl)-3-phenylpent-3-en-1-ynyl]-trimethylsilane
CID 12968057
[(3Z)-3-[(Z)-2,3-diphenylprop-2-enylidene]non-1-ynyl]-trimethylsilane
CID 102204409
1-phenyl-5-trimethylsilylpent-1-en-4-yn-3-one
CID 71332412
trimethyl-[(3E,5Z)-5-methyl-6-phenylhexa-3,5-dien-1-ynyl]silane
CID 101267060
[(Z)-3,9-diphenylnon-3-en-1,5-diynyl]-trimethylsilane
CID 10854822
1-phenyl-5-trimethylsilylpenta-2,4-diyn-1-one
CID 15953221
1,2-diphenylethenyl(trimethyl)stannane
CID 85409912
trimethyl-[(Z)-5-(1-methylindol-3-yl)-3,5-diphenylpent-3-en-1-ynyl]silane
CID 71517839

Frequently Asked Questions

What is the IUPAC name of [(E)-3,4-diphenylbut-3-en-1-ynyl]-trimethylsilane?
The IUPAC name of [(E)-3,4-diphenylbut-3-en-1-ynyl]-trimethylsilane (CID 135024613) is [(E)-3,4-diphenylbut-3-en-1-ynyl]-trimethylsilane.
What is the SMILES notation for [(E)-3,4-diphenylbut-3-en-1-ynyl]-trimethylsilane?
The canonical SMILES for [(E)-3,4-diphenylbut-3-en-1-ynyl]-trimethylsilane is C[Si](C)(C)C#C/C(=C/c1ccccc1)c1ccccc1.
What is the InChIKey of [(E)-3,4-diphenylbut-3-en-1-ynyl]-trimethylsilane?
The InChIKey is DSKZXRGGLXJLMT-MNDPQUGUSA-N. The full InChI is InChI=1S/C19H20Si/c1-20(2,3)15-14-19(18-12-8-5-9-13-18)16-17-10-6-4-7-11-17/h4-13,16H,1-3H3/b19-16-.
What are the key properties of [(E)-3,4-diphenylbut-3-en-1-ynyl]-trimethylsilane?
[(E)-3,4-diphenylbut-3-en-1-ynyl]-trimethylsilane has a molecular weight of 276.46 g/mol, XLogP of 5.11, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3,4-diphenylbut-3-en-1-ynyl]-trimethylsilane is sourced from PubChem (CID 135024613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).