trimethyl-[2-[2-(2-phenylethynyl)cyclobuta-1,3-dien-1-yl]ethynyl]silane

C17H16Si — CID 11079621

IUPACtrimethyl-[2-[2-(2-phenylethynyl)cyclobuta-1,3-dien-1-yl]ethynyl]silane
SMILESC[Si](C)(C)C#CC1=C(C#Cc2ccccc2)C=C1
InChIInChI=1S/C17H16Si/c1-18(2,3)14-13-17-12-11-16(17)10-9-15-7-5-4-6-8-15/h4-8,11-12H,1-3H3
InChIKeyYECIYDLPBYQKFP-UHFFFAOYSA-N
MW248.40 g/mol
LogP3.79
Rot. Bonds

About trimethyl-[2-[2-(2-phenylethynyl)cyclobuta-1,3-dien-1-yl]ethynyl]silane

trimethyl-[2-[2-(2-phenylethynyl)cyclobuta-1,3-dien-1-yl]ethynyl]silane (PubChem CID 11079621) has the molecular formula C17H16Si and a molecular weight of 248.40 g/mol. Its IUPAC name is trimethyl-[2-[2-(2-phenylethynyl)cyclobuta-1,3-dien-1-yl]ethynyl]silane.

Molecular Properties

Compound Nametrimethyl-[2-[2-(2-phenylethynyl)cyclobuta-1,3-dien-1-yl]ethynyl]silane
PubChem CID11079621
Molecular FormulaC17H16Si
Molecular Weight248.40 g/mol
Exact Mass248.10
IUPAC Nametrimethyl-[2-[2-(2-phenylethynyl)cyclobuta-1,3-dien-1-yl]ethynyl]silane
SMILESC[Si](C)(C)C#CC1=C(C#Cc2ccccc2)C=C1
InChIInChI=1S/C17H16Si/c1-18(2,3)14-13-17-12-11-16(17)10-9-15-7-5-4-6-8-15/h4-8,11-12H,1-3H3
InChIKeyYECIYDLPBYQKFP-UHFFFAOYSA-N
XLogP3.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.40
LogP ≤ 53.79
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

trimethyl-[2-[2-[2-[2-[2-[2-(2-phenylethynyl)cyclopenten-1-yl]ethynyl]cyclopenten-1-yl]ethynyl]cyclopenten-1-yl]ethynyl]silane
CID 10972309
2-((1,2-13C2)cyclohexatrienyl)ethynyl(1,2-13C2)cyclohexatriene
CID 150731469
methylsulfanylmethane;2-phenylethynylbenzene
CID 166709013
2-phenylethynylbenzene;dihydrochloride
CID 174927104
2-phenylethynylbenzene;hydrofluoride
CID 158259923
ethane;ethynylbenzene;ethynyl(trimethyl)silane;iodobenzene;methane;bis(2-phenylethynylbenzene);trimethyl(2-phenylethynyl)silane
CID 158335292
trimethyl-[2-[4-[2-(4-methylphenyl)ethynyl]phenyl]ethynyl]silane
CID 66777028
[3-(dibromomethylidene)-5-phenylpenta-1,4-diynyl]-trimethylsilane
CID 14937077
phenyl-[4-(2-trimethylsilylethynyl)phenyl]methanone
CID 15849413
trimethyl-[2-[4-(2-methylphenyl)phenyl]ethynyl]silane
CID 59774101
trimethyl-[2-[(2R,3R)-3-(2-phenylethynyl)aziridin-2-yl]ethynyl]silane
CID 101176241
2-methylbut-2-ene;2-phenylethynylbenzene
CID 143689109

Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-[2-(2-phenylethynyl)cyclobuta-1,3-dien-1-yl]ethynyl]silane?
The IUPAC name of trimethyl-[2-[2-(2-phenylethynyl)cyclobuta-1,3-dien-1-yl]ethynyl]silane (CID 11079621) is trimethyl-[2-[2-(2-phenylethynyl)cyclobuta-1,3-dien-1-yl]ethynyl]silane.
What is the SMILES notation for trimethyl-[2-[2-(2-phenylethynyl)cyclobuta-1,3-dien-1-yl]ethynyl]silane?
The canonical SMILES for trimethyl-[2-[2-(2-phenylethynyl)cyclobuta-1,3-dien-1-yl]ethynyl]silane is C[Si](C)(C)C#CC1=C(C#Cc2ccccc2)C=C1.
What is the InChIKey of trimethyl-[2-[2-(2-phenylethynyl)cyclobuta-1,3-dien-1-yl]ethynyl]silane?
The InChIKey is YECIYDLPBYQKFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Si/c1-18(2,3)14-13-17-12-11-16(17)10-9-15-7-5-4-6-8-15/h4-8,11-12H,1-3H3.
What are the key properties of trimethyl-[2-[2-(2-phenylethynyl)cyclobuta-1,3-dien-1-yl]ethynyl]silane?
trimethyl-[2-[2-(2-phenylethynyl)cyclobuta-1,3-dien-1-yl]ethynyl]silane has a molecular weight of 248.40 g/mol, XLogP of 3.79, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-[2-(2-phenylethynyl)cyclobuta-1,3-dien-1-yl]ethynyl]silane is sourced from PubChem (CID 11079621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).