(4-but-3-en-1-ynylphenyl)-trimethylsilane

C13H16Si — CID 101111101

IUPAC(4-but-3-en-1-ynylphenyl)-trimethylsilane
SMILESC=CC#Cc1ccc([Si](C)(C)C)cc1
InChIInChI=1S/C13H16Si/c1-5-6-7-12-8-10-13(11-9-12)14(2,3)4/h5,8-11H,1H2,2-4H3
InChIKeyWWZLCPXLNZADGL-UHFFFAOYSA-N
MW200.36 g/mol
LogP2.77
Rot. Bonds1

About (4-but-3-en-1-ynylphenyl)-trimethylsilane

(4-but-3-en-1-ynylphenyl)-trimethylsilane (PubChem CID 101111101) has the molecular formula C13H16Si and a molecular weight of 200.36 g/mol. Its IUPAC name is (4-but-3-en-1-ynylphenyl)-trimethylsilane.

Molecular Properties

Compound Name(4-but-3-en-1-ynylphenyl)-trimethylsilane
PubChem CID101111101
Molecular FormulaC13H16Si
Molecular Weight200.36 g/mol
Exact Mass200.10
IUPAC Name(4-but-3-en-1-ynylphenyl)-trimethylsilane
SMILESC=CC#Cc1ccc([Si](C)(C)C)cc1
InChIInChI=1S/C13H16Si/c1-5-6-7-12-8-10-13(11-9-12)14(2,3)4/h5,8-11H,1H2,2-4H3
InChIKeyWWZLCPXLNZADGL-UHFFFAOYSA-N
XLogP2.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.36
LogP ≤ 52.77
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 (4-but-3-en-1-ynylphenyl)-trimethylsilane?
The IUPAC name of (4-but-3-en-1-ynylphenyl)-trimethylsilane (CID 101111101) is (4-but-3-en-1-ynylphenyl)-trimethylsilane.
What is the SMILES notation for (4-but-3-en-1-ynylphenyl)-trimethylsilane?
The canonical SMILES for (4-but-3-en-1-ynylphenyl)-trimethylsilane is C=CC#Cc1ccc([Si](C)(C)C)cc1.
What is the InChIKey of (4-but-3-en-1-ynylphenyl)-trimethylsilane?
The InChIKey is WWZLCPXLNZADGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Si/c1-5-6-7-12-8-10-13(11-9-12)14(2,3)4/h5,8-11H,1H2,2-4H3.
What are the key properties of (4-but-3-en-1-ynylphenyl)-trimethylsilane?
(4-but-3-en-1-ynylphenyl)-trimethylsilane has a molecular weight of 200.36 g/mol, XLogP of 2.77, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4-but-3-en-1-ynylphenyl)-trimethylsilane is sourced from PubChem (CID 101111101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).