trimethyl-[4-(4-methylphenyl)buta-1,3-diynyl]silane

C14H16Si — CID 14784440

IUPACtrimethyl-[4-(4-methylphenyl)buta-1,3-diynyl]silane
SMILESCc1ccc(C#CC#C[Si](C)(C)C)cc1
InChIInChI=1S/C14H16Si/c1-13-8-10-14(11-9-13)7-5-6-12-15(2,3)4/h8-11H,1-4H3
InChIKeyLJNLACQDJHBXEP-UHFFFAOYSA-N
MW212.37 g/mol
LogP3.23
Rot. Bonds

About trimethyl-[4-(4-methylphenyl)buta-1,3-diynyl]silane

trimethyl-[4-(4-methylphenyl)buta-1,3-diynyl]silane (PubChem CID 14784440) has the molecular formula C14H16Si and a molecular weight of 212.37 g/mol. Its IUPAC name is trimethyl-[4-(4-methylphenyl)buta-1,3-diynyl]silane.

Molecular Properties

Compound Nametrimethyl-[4-(4-methylphenyl)buta-1,3-diynyl]silane
PubChem CID14784440
Molecular FormulaC14H16Si
Molecular Weight212.37 g/mol
Exact Mass212.10
IUPAC Nametrimethyl-[4-(4-methylphenyl)buta-1,3-diynyl]silane
SMILESCc1ccc(C#CC#C[Si](C)(C)C)cc1
InChIInChI=1S/C14H16Si/c1-13-8-10-14(11-9-13)7-5-6-12-15(2,3)4/h8-11H,1-4H3
InChIKeyLJNLACQDJHBXEP-UHFFFAOYSA-N
XLogP3.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.37
LogP ≤ 53.23
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

CID 7809
CID 7809
CID 12161
CID 12161
CID 120463
CID 120463
CID 69862
CID 69862
CID 13018
CID 13018
CID 15780
CID 15780
CID 3251198
CID 3251198
CID 3083613
CID 3083613
CID 77981
CID 77981
CID 69601
CID 69601
CID 298149
CID 298149
CID 69878
CID 69878

Frequently Asked Questions

What is the IUPAC name of trimethyl-[4-(4-methylphenyl)buta-1,3-diynyl]silane?
The IUPAC name of trimethyl-[4-(4-methylphenyl)buta-1,3-diynyl]silane (CID 14784440) is trimethyl-[4-(4-methylphenyl)buta-1,3-diynyl]silane.
What is the SMILES notation for trimethyl-[4-(4-methylphenyl)buta-1,3-diynyl]silane?
The canonical SMILES for trimethyl-[4-(4-methylphenyl)buta-1,3-diynyl]silane is Cc1ccc(C#CC#C[Si](C)(C)C)cc1.
What is the InChIKey of trimethyl-[4-(4-methylphenyl)buta-1,3-diynyl]silane?
The InChIKey is LJNLACQDJHBXEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Si/c1-13-8-10-14(11-9-13)7-5-6-12-15(2,3)4/h8-11H,1-4H3.
What are the key properties of trimethyl-[4-(4-methylphenyl)buta-1,3-diynyl]silane?
trimethyl-[4-(4-methylphenyl)buta-1,3-diynyl]silane has a molecular weight of 212.37 g/mol, XLogP of 3.23, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[4-(4-methylphenyl)buta-1,3-diynyl]silane is sourced from PubChem (CID 14784440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).