4-(2-methoxyphenyl)buta-1,3-diynyl-trimethylsilane

C14H16OSi — CID 15531435

IUPAC4-(2-methoxyphenyl)buta-1,3-diynyl-trimethylsilane
SMILESCOc1ccccc1C#CC#C[Si](C)(C)C
InChIInChI=1S/C14H16OSi/c1-15-14-11-6-5-9-13(14)10-7-8-12-16(2,3)4/h5-6,9,11H,1-4H3
InChIKeyXCVOGISTYCBYMH-UHFFFAOYSA-N
MW228.37 g/mol
LogP2.93
Rot. Bonds1

About 4-(2-methoxyphenyl)buta-1,3-diynyl-trimethylsilane

4-(2-methoxyphenyl)buta-1,3-diynyl-trimethylsilane (PubChem CID 15531435) has the molecular formula C14H16OSi and a molecular weight of 228.37 g/mol. Its IUPAC name is 4-(2-methoxyphenyl)buta-1,3-diynyl-trimethylsilane.

Molecular Properties

Compound Name4-(2-methoxyphenyl)buta-1,3-diynyl-trimethylsilane
PubChem CID15531435
Molecular FormulaC14H16OSi
Molecular Weight228.37 g/mol
Exact Mass228.10
IUPAC Name4-(2-methoxyphenyl)buta-1,3-diynyl-trimethylsilane
SMILESCOc1ccccc1C#CC#C[Si](C)(C)C
InChIInChI=1S/C14H16OSi/c1-15-14-11-6-5-9-13(14)10-7-8-12-16(2,3)4/h5-6,9,11H,1-4H3
InChIKeyXCVOGISTYCBYMH-UHFFFAOYSA-N
XLogP2.93
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.37
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-(2-methoxyphenyl)buta-1,3-diynyl-trimethylsilane?
The IUPAC name of 4-(2-methoxyphenyl)buta-1,3-diynyl-trimethylsilane (CID 15531435) is 4-(2-methoxyphenyl)buta-1,3-diynyl-trimethylsilane.
What is the SMILES notation for 4-(2-methoxyphenyl)buta-1,3-diynyl-trimethylsilane?
The canonical SMILES for 4-(2-methoxyphenyl)buta-1,3-diynyl-trimethylsilane is COc1ccccc1C#CC#C[Si](C)(C)C.
What is the InChIKey of 4-(2-methoxyphenyl)buta-1,3-diynyl-trimethylsilane?
The InChIKey is XCVOGISTYCBYMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16OSi/c1-15-14-11-6-5-9-13(14)10-7-8-12-16(2,3)4/h5-6,9,11H,1-4H3.
What are the key properties of 4-(2-methoxyphenyl)buta-1,3-diynyl-trimethylsilane?
4-(2-methoxyphenyl)buta-1,3-diynyl-trimethylsilane has a molecular weight of 228.37 g/mol, XLogP of 2.93, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyphenyl)buta-1,3-diynyl-trimethylsilane is sourced from PubChem (CID 15531435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).