2-[2-(3,3-dimethylbut-1-ynyl)cyclobuta-1,3-dien-1-yl]ethynyl-trimethylsilane

C15H20Si — CID 11783550

IUPAC2-[2-(3,3-dimethylbut-1-ynyl)cyclobuta-1,3-dien-1-yl]ethynyl-trimethylsilane
SMILESCC(C)(C)C#CC1=C(C#C[Si](C)(C)C)C=C1
InChIInChI=1S/C15H20Si/c1-15(2,3)11-9-13-7-8-14(13)10-12-16(4,5)6/h7-8H,1-6H3
InChIKeyVPWJAJBGNRWDLM-UHFFFAOYSA-N
MW228.41 g/mol
LogP3.78
Rot. Bonds

About 2-[2-(3,3-dimethylbut-1-ynyl)cyclobuta-1,3-dien-1-yl]ethynyl-trimethylsilane

2-[2-(3,3-dimethylbut-1-ynyl)cyclobuta-1,3-dien-1-yl]ethynyl-trimethylsilane (PubChem CID 11783550) has the molecular formula C15H20Si and a molecular weight of 228.41 g/mol. Its IUPAC name is 2-[2-(3,3-dimethylbut-1-ynyl)cyclobuta-1,3-dien-1-yl]ethynyl-trimethylsilane.

Molecular Properties

Compound Name2-[2-(3,3-dimethylbut-1-ynyl)cyclobuta-1,3-dien-1-yl]ethynyl-trimethylsilane
PubChem CID11783550
Molecular FormulaC15H20Si
Molecular Weight228.41 g/mol
Exact Mass228.13
IUPAC Name2-[2-(3,3-dimethylbut-1-ynyl)cyclobuta-1,3-dien-1-yl]ethynyl-trimethylsilane
SMILESCC(C)(C)C#CC1=C(C#C[Si](C)(C)C)C=C1
InChIInChI=1S/C15H20Si/c1-15(2,3)11-9-13-7-8-14(13)10-12-16(4,5)6/h7-8H,1-6H3
InChIKeyVPWJAJBGNRWDLM-UHFFFAOYSA-N
XLogP3.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.41
LogP ≤ 53.78
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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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,3-dimethylbut-1-ynyl)cyclobuta-1,3-dien-1-yl]ethynyl-trimethylsilane?
The IUPAC name of 2-[2-(3,3-dimethylbut-1-ynyl)cyclobuta-1,3-dien-1-yl]ethynyl-trimethylsilane (CID 11783550) is 2-[2-(3,3-dimethylbut-1-ynyl)cyclobuta-1,3-dien-1-yl]ethynyl-trimethylsilane.
What is the SMILES notation for 2-[2-(3,3-dimethylbut-1-ynyl)cyclobuta-1,3-dien-1-yl]ethynyl-trimethylsilane?
The canonical SMILES for 2-[2-(3,3-dimethylbut-1-ynyl)cyclobuta-1,3-dien-1-yl]ethynyl-trimethylsilane is CC(C)(C)C#CC1=C(C#C[Si](C)(C)C)C=C1.
What is the InChIKey of 2-[2-(3,3-dimethylbut-1-ynyl)cyclobuta-1,3-dien-1-yl]ethynyl-trimethylsilane?
The InChIKey is VPWJAJBGNRWDLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Si/c1-15(2,3)11-9-13-7-8-14(13)10-12-16(4,5)6/h7-8H,1-6H3.
What are the key properties of 2-[2-(3,3-dimethylbut-1-ynyl)cyclobuta-1,3-dien-1-yl]ethynyl-trimethylsilane?
2-[2-(3,3-dimethylbut-1-ynyl)cyclobuta-1,3-dien-1-yl]ethynyl-trimethylsilane has a molecular weight of 228.41 g/mol, XLogP of 3.78, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,3-dimethylbut-1-ynyl)cyclobuta-1,3-dien-1-yl]ethynyl-trimethylsilane is sourced from PubChem (CID 11783550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).