trimethyl-[5-phenyl-3-(2-trimethylsilylethynyl)octa-3,7-dien-1-ynyl]silane

C22H30Si2 — CID 11100223

IUPACtrimethyl-[5-phenyl-3-(2-trimethylsilylethynyl)octa-3,7-dien-1-ynyl]silane
SMILESC=CCC(C=C(C#C[Si](C)(C)C)C#C[Si](C)(C)C)c1ccccc1
InChIInChI=1S/C22H30Si2/c1-8-12-22(21-13-10-9-11-14-21)19-20(15-17-23(2,3)4)16-18-24(5,6)7/h8-11,13-14,19,22H,1,12H2,2-7H3
InChIKeyNCJIHWFFGWCIQW-UHFFFAOYSA-N
MW350.65 g/mol
LogP6.03
Rot. Bonds4

About trimethyl-[5-phenyl-3-(2-trimethylsilylethynyl)octa-3,7-dien-1-ynyl]silane

trimethyl-[5-phenyl-3-(2-trimethylsilylethynyl)octa-3,7-dien-1-ynyl]silane (PubChem CID 11100223) has the molecular formula C22H30Si2 and a molecular weight of 350.65 g/mol. Its IUPAC name is trimethyl-[5-phenyl-3-(2-trimethylsilylethynyl)octa-3,7-dien-1-ynyl]silane.

Molecular Properties

Compound Nametrimethyl-[5-phenyl-3-(2-trimethylsilylethynyl)octa-3,7-dien-1-ynyl]silane
PubChem CID11100223
Molecular FormulaC22H30Si2
Molecular Weight350.65 g/mol
Exact Mass350.19
IUPAC Nametrimethyl-[5-phenyl-3-(2-trimethylsilylethynyl)octa-3,7-dien-1-ynyl]silane
SMILESC=CCC(C=C(C#C[Si](C)(C)C)C#C[Si](C)(C)C)c1ccccc1
InChIInChI=1S/C22H30Si2/c1-8-12-22(21-13-10-9-11-14-21)19-20(15-17-23(2,3)4)16-18-24(5,6)7/h8-11,13-14,19,22H,1,12H2,2-7H3
InChIKeyNCJIHWFFGWCIQW-UHFFFAOYSA-N
XLogP6.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.65
LogP ≤ 56.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(2S,3R)-3-phenylhex-5-en-2-ol
CID 129363226
trimethyl-[(S)-phenyl-[(1S)-1-phenylbut-3-enoxy]methyl]silane
CID 15532498
(2R,3S)-2-phenylhex-5-en-3-ol
CID 12633863
[(3Z)-5-phenylocta-3,7-dien-1-ynyl]benzene
CID 66553425
[(4S,5S)-5-phenylocta-1,7-dien-4-yl]benzene
CID 97429057
(2S)-1,1-diphenylpent-4-en-2-ol
CID 11390776
3-phenylhexa-1,5-dien-2-ol
CID 173444348
bromo-triphenyl-(1-trimethylsilylbut-3-enyl)-λ5-phosphane
CID 134888993
4-phenyl-1-trimethylsilylhept-6-en-1-one
CID 102315107
[(E)-3,4-diphenylbut-3-en-1-ynyl]-trimethylsilane
CID 135024613
hepta-1,6-dien-4-ylbenzene;phthalic acid
CID 66933649
4,6-diphenylnona-1,8-dien-5-one
CID 69419927

Frequently Asked Questions

What is the IUPAC name of trimethyl-[5-phenyl-3-(2-trimethylsilylethynyl)octa-3,7-dien-1-ynyl]silane?
The IUPAC name of trimethyl-[5-phenyl-3-(2-trimethylsilylethynyl)octa-3,7-dien-1-ynyl]silane (CID 11100223) is trimethyl-[5-phenyl-3-(2-trimethylsilylethynyl)octa-3,7-dien-1-ynyl]silane.
What is the SMILES notation for trimethyl-[5-phenyl-3-(2-trimethylsilylethynyl)octa-3,7-dien-1-ynyl]silane?
The canonical SMILES for trimethyl-[5-phenyl-3-(2-trimethylsilylethynyl)octa-3,7-dien-1-ynyl]silane is C=CCC(C=C(C#C[Si](C)(C)C)C#C[Si](C)(C)C)c1ccccc1.
What is the InChIKey of trimethyl-[5-phenyl-3-(2-trimethylsilylethynyl)octa-3,7-dien-1-ynyl]silane?
The InChIKey is NCJIHWFFGWCIQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30Si2/c1-8-12-22(21-13-10-9-11-14-21)19-20(15-17-23(2,3)4)16-18-24(5,6)7/h8-11,13-14,19,22H,1,12H2,2-7H3.
What are the key properties of trimethyl-[5-phenyl-3-(2-trimethylsilylethynyl)octa-3,7-dien-1-ynyl]silane?
trimethyl-[5-phenyl-3-(2-trimethylsilylethynyl)octa-3,7-dien-1-ynyl]silane has a molecular weight of 350.65 g/mol, XLogP of 6.03, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[5-phenyl-3-(2-trimethylsilylethynyl)octa-3,7-dien-1-ynyl]silane is sourced from PubChem (CID 11100223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).