2-(2-ethynylcyclobuta-1,3-dien-1-yl)ethynyl-trimethylsilane

C11H12Si — CID 10881504

IUPAC2-(2-ethynylcyclobuta-1,3-dien-1-yl)ethynyl-trimethylsilane
SMILESC#CC1=C(C#C[Si](C)(C)C)C=C1
InChIInChI=1S/C11H12Si/c1-5-10-6-7-11(10)8-9-12(2,3)4/h1,6-7H,2-4H3
InChIKeyHYEBQZMOPWTGPY-UHFFFAOYSA-N
MW172.30 g/mol
LogP2.37
Rot. Bonds

About 2-(2-ethynylcyclobuta-1,3-dien-1-yl)ethynyl-trimethylsilane

2-(2-ethynylcyclobuta-1,3-dien-1-yl)ethynyl-trimethylsilane (PubChem CID 10881504) has the molecular formula C11H12Si and a molecular weight of 172.30 g/mol. Its IUPAC name is 2-(2-ethynylcyclobuta-1,3-dien-1-yl)ethynyl-trimethylsilane.

Molecular Properties

Compound Name2-(2-ethynylcyclobuta-1,3-dien-1-yl)ethynyl-trimethylsilane
PubChem CID10881504
Molecular FormulaC11H12Si
Molecular Weight172.30 g/mol
Exact Mass172.07
IUPAC Name2-(2-ethynylcyclobuta-1,3-dien-1-yl)ethynyl-trimethylsilane
SMILESC#CC1=C(C#C[Si](C)(C)C)C=C1
InChIInChI=1S/C11H12Si/c1-5-10-6-7-11(10)8-9-12(2,3)4/h1,6-7H,2-4H3
InChIKeyHYEBQZMOPWTGPY-UHFFFAOYSA-N
XLogP2.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.30
LogP ≤ 52.37
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

(3,4-Diethynyl-2-trimethylsilylcyclobuta-1,3-dien-1-yl)-trimethylsilane
CID 11810726
Lithium trimethyl(2-phenylethynyl)silane
CID 14140276
2-Cyclopenta-1,3-dien-1-ylethynyl(trimethyl)silane
CID 15300222
3,5-Dimethylhepta-3,5,6-trien-1-ynyl(trimethyl)silane
CID 91120203
Lithium trimethyl(2-phenylethynyl)silane
CID 140650252
Lithium trimethyl(2-phenylethynyl)silane
CID 140650253
(2,3-Diethynylcyclohexa-2,4-dien-1-ylidene)-dimethylsilane
CID 173168030
(2-Ethynylcyclohexa-2,4-dien-1-ylidene)-dimethylsilane
CID 173168244
(3-Ethynylcyclohexa-2,4-dien-1-ylidene)-methylsilane
CID 173168249
trimethyl-[(4Z)-5-methyl-3-methylidenehepta-4,6-dien-1-ynyl]silane
CID 173466997
trimethyl-[(3E,5Z)-3-methylocta-3,5-dien-1-ynyl]silane
CID 173551754
[(3E,5Z)-3-ethylhepta-3,5-dien-1-ynyl]-trimethylsilane
CID 173553199

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethynylcyclobuta-1,3-dien-1-yl)ethynyl-trimethylsilane?
The IUPAC name of 2-(2-ethynylcyclobuta-1,3-dien-1-yl)ethynyl-trimethylsilane (CID 10881504) is 2-(2-ethynylcyclobuta-1,3-dien-1-yl)ethynyl-trimethylsilane.
What is the SMILES notation for 2-(2-ethynylcyclobuta-1,3-dien-1-yl)ethynyl-trimethylsilane?
The canonical SMILES for 2-(2-ethynylcyclobuta-1,3-dien-1-yl)ethynyl-trimethylsilane is C#CC1=C(C#C[Si](C)(C)C)C=C1.
What is the InChIKey of 2-(2-ethynylcyclobuta-1,3-dien-1-yl)ethynyl-trimethylsilane?
The InChIKey is HYEBQZMOPWTGPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Si/c1-5-10-6-7-11(10)8-9-12(2,3)4/h1,6-7H,2-4H3.
What are the key properties of 2-(2-ethynylcyclobuta-1,3-dien-1-yl)ethynyl-trimethylsilane?
2-(2-ethynylcyclobuta-1,3-dien-1-yl)ethynyl-trimethylsilane has a molecular weight of 172.30 g/mol, XLogP of 2.37, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethynylcyclobuta-1,3-dien-1-yl)ethynyl-trimethylsilane is sourced from PubChem (CID 10881504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).