(3-but-2-ynyl-2-methylcyclopropen-1-yl)-trimethylsilane

C11H18Si — CID 123572589

IUPAC(3-but-2-ynyl-2-methylcyclopropen-1-yl)-trimethylsilane
SMILESCC#CCC1C(C)=C1[Si](C)(C)C
InChIInChI=1S/C11H18Si/c1-6-7-8-10-9(2)11(10)12(3,4)5/h10H,8H2,1-5H3
InChIKeyLNUWNRYCPCZFSM-UHFFFAOYSA-N
MW178.35 g/mol
LogP3.22
Rot. Bonds2

About (3-but-2-ynyl-2-methylcyclopropen-1-yl)-trimethylsilane

(3-but-2-ynyl-2-methylcyclopropen-1-yl)-trimethylsilane (PubChem CID 123572589) has the molecular formula C11H18Si and a molecular weight of 178.35 g/mol. Its IUPAC name is (3-but-2-ynyl-2-methylcyclopropen-1-yl)-trimethylsilane.

Molecular Properties

Compound Name(3-but-2-ynyl-2-methylcyclopropen-1-yl)-trimethylsilane
PubChem CID123572589
Molecular FormulaC11H18Si
Molecular Weight178.35 g/mol
Exact Mass178.12
IUPAC Name(3-but-2-ynyl-2-methylcyclopropen-1-yl)-trimethylsilane
SMILESCC#CCC1C(C)=C1[Si](C)(C)C
InChIInChI=1S/C11H18Si/c1-6-7-8-10-9(2)11(10)12(3,4)5/h10H,8H2,1-5H3
InChIKeyLNUWNRYCPCZFSM-UHFFFAOYSA-N
XLogP3.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.35
LogP ≤ 53.22
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 (3-but-2-ynyl-2-methylcyclopropen-1-yl)-trimethylsilane?
The IUPAC name of (3-but-2-ynyl-2-methylcyclopropen-1-yl)-trimethylsilane (CID 123572589) is (3-but-2-ynyl-2-methylcyclopropen-1-yl)-trimethylsilane.
What is the SMILES notation for (3-but-2-ynyl-2-methylcyclopropen-1-yl)-trimethylsilane?
The canonical SMILES for (3-but-2-ynyl-2-methylcyclopropen-1-yl)-trimethylsilane is CC#CCC1C(C)=C1[Si](C)(C)C.
What is the InChIKey of (3-but-2-ynyl-2-methylcyclopropen-1-yl)-trimethylsilane?
The InChIKey is LNUWNRYCPCZFSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18Si/c1-6-7-8-10-9(2)11(10)12(3,4)5/h10H,8H2,1-5H3.
What are the key properties of (3-but-2-ynyl-2-methylcyclopropen-1-yl)-trimethylsilane?
(3-but-2-ynyl-2-methylcyclopropen-1-yl)-trimethylsilane has a molecular weight of 178.35 g/mol, XLogP of 3.22, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3-but-2-ynyl-2-methylcyclopropen-1-yl)-trimethylsilane is sourced from PubChem (CID 123572589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).