[3,3-dimethyl-2-(2-phenylethynyl)cyclopropen-1-yl]-trimethylsilane

C16H20Si — CID 11042866

IUPAC[3,3-dimethyl-2-(2-phenylethynyl)cyclopropen-1-yl]-trimethylsilane
SMILESCC1(C)C(C#Cc2ccccc2)=C1[Si](C)(C)C
InChIInChI=1S/C16H20Si/c1-16(2)14(15(16)17(3,4)5)12-11-13-9-7-6-8-10-13/h6-10H,1-5H3
InChIKeyPOBRHKLAVZXUHA-UHFFFAOYSA-N
MW240.42 g/mol
LogP4.25
Rot. Bonds1

About [3,3-dimethyl-2-(2-phenylethynyl)cyclopropen-1-yl]-trimethylsilane

[3,3-dimethyl-2-(2-phenylethynyl)cyclopropen-1-yl]-trimethylsilane (PubChem CID 11042866) has the molecular formula C16H20Si and a molecular weight of 240.42 g/mol. Its IUPAC name is [3,3-dimethyl-2-(2-phenylethynyl)cyclopropen-1-yl]-trimethylsilane.

Molecular Properties

Compound Name[3,3-dimethyl-2-(2-phenylethynyl)cyclopropen-1-yl]-trimethylsilane
PubChem CID11042866
Molecular FormulaC16H20Si
Molecular Weight240.42 g/mol
Exact Mass240.13
IUPAC Name[3,3-dimethyl-2-(2-phenylethynyl)cyclopropen-1-yl]-trimethylsilane
SMILESCC1(C)C(C#Cc2ccccc2)=C1[Si](C)(C)C
InChIInChI=1S/C16H20Si/c1-16(2)14(15(16)17(3,4)5)12-11-13-9-7-6-8-10-13/h6-10H,1-5H3
InChIKeyPOBRHKLAVZXUHA-UHFFFAOYSA-N
XLogP4.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.42
LogP ≤ 54.25
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'}

Analyze [3,3-dimethyl-2-(2-phenylethynyl)cyclopropen-1-yl]-trimethylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methylsulfanylmethane;2-phenylethynylbenzene
CID 166709013
2-((1,2-13C2)cyclohexatrienyl)ethynyl(1,2-13C2)cyclohexatriene
CID 150731469
2-phenylethynylbenzene;dihydrochloride
CID 174927104
2-phenylethynylbenzene;hydrofluoride
CID 158259923
4,4,5,5-tetramethyl-2-[4-(2-phenylethynyl)phenyl]-1,3,2-dioxaborolane
CID 57416880
trimethyl-[3-(2-phenylethynyl)phenyl]silane
CID 66902044
2-phenylethynylbenzene;sulfur dioxide
CID 175266779
oxophosphanium;2-phenylethynylbenzene
CID 161111354
3-(2-phenylethynyl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
CID 163817382
CID 134898638
CID 134898638
ethane;9-methyl-9-[4-(2-phenylethynyl)phenyl]fluorene
CID 159904339
hydroxy-dimethyl-[2-(2-phenylethynyl)phenyl]silane
CID 102493191

Frequently Asked Questions

What is the IUPAC name of [3,3-dimethyl-2-(2-phenylethynyl)cyclopropen-1-yl]-trimethylsilane?
The IUPAC name of [3,3-dimethyl-2-(2-phenylethynyl)cyclopropen-1-yl]-trimethylsilane (CID 11042866) is [3,3-dimethyl-2-(2-phenylethynyl)cyclopropen-1-yl]-trimethylsilane.
What is the SMILES notation for [3,3-dimethyl-2-(2-phenylethynyl)cyclopropen-1-yl]-trimethylsilane?
The canonical SMILES for [3,3-dimethyl-2-(2-phenylethynyl)cyclopropen-1-yl]-trimethylsilane is CC1(C)C(C#Cc2ccccc2)=C1[Si](C)(C)C.
What is the InChIKey of [3,3-dimethyl-2-(2-phenylethynyl)cyclopropen-1-yl]-trimethylsilane?
The InChIKey is POBRHKLAVZXUHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20Si/c1-16(2)14(15(16)17(3,4)5)12-11-13-9-7-6-8-10-13/h6-10H,1-5H3.
What are the key properties of [3,3-dimethyl-2-(2-phenylethynyl)cyclopropen-1-yl]-trimethylsilane?
[3,3-dimethyl-2-(2-phenylethynyl)cyclopropen-1-yl]-trimethylsilane has a molecular weight of 240.42 g/mol, XLogP of 4.25, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [3,3-dimethyl-2-(2-phenylethynyl)cyclopropen-1-yl]-trimethylsilane is sourced from PubChem (CID 11042866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).