tert-butyl-dimethyl-[2-(4-methylphenyl)ethynyl]silane

C15H22Si — CID 15258945

IUPACtert-butyl-dimethyl-[2-(4-methylphenyl)ethynyl]silane
SMILESCc1ccc(C#C[Si](C)(C)C(C)(C)C)cc1
InChIInChI=1S/C15H22Si/c1-13-7-9-14(10-8-13)11-12-16(5,6)15(2,3)4/h7-10H,1-6H3
InChIKeyYTVZYZGOLPHPCS-UHFFFAOYSA-N
MW230.43 g/mol
LogP4.39
Rot. Bonds

About tert-butyl-dimethyl-[2-(4-methylphenyl)ethynyl]silane

tert-butyl-dimethyl-[2-(4-methylphenyl)ethynyl]silane (PubChem CID 15258945) has the molecular formula C15H22Si and a molecular weight of 230.43 g/mol. Its IUPAC name is tert-butyl-dimethyl-[2-(4-methylphenyl)ethynyl]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[2-(4-methylphenyl)ethynyl]silane
PubChem CID15258945
Molecular FormulaC15H22Si
Molecular Weight230.43 g/mol
Exact Mass230.15
IUPAC Nametert-butyl-dimethyl-[2-(4-methylphenyl)ethynyl]silane
SMILESCc1ccc(C#C[Si](C)(C)C(C)(C)C)cc1
InChIInChI=1S/C15H22Si/c1-13-7-9-14(10-8-13)11-12-16(5,6)15(2,3)4/h7-10H,1-6H3
InChIKeyYTVZYZGOLPHPCS-UHFFFAOYSA-N
XLogP4.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.43
LogP ≤ 54.39
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

tert-butyl-[2-(4-ethynylphenyl)ethynyl]-dimethylsilane
CID 11447833
tert-butyl-dimethyl-(2-phenylethynyl)silane
CID 11127691
trimethyl-[2-[4-[2-(4-methylphenyl)ethynyl]phenyl]ethynyl]silane
CID 66777028
1-methyl-4-[6-(4-methylphenyl)hexa-1,3,5-triynyl]benzene
CID 58986470
2-(4-methylphenyl)ethyneselenolate
CID 12921639
1-methyl-4-[2-[2-(4-methylphenyl)ethynylsulfanyl]ethynyl]benzene
CID 71614566
ethane;1-methyl-4-prop-1-ynylbenzene
CID 91181270
methane;1-methyl-4-prop-1-ynylbenzene
CID 143373241
methyl (3S)-3-amino-3-[4-[2-[tert-butyl(dimethyl)silyl]ethynyl]phenyl]propanoate;hydrochloride
CID 178001737
1,1,1-trifluoro-4-(4-methylphenyl)but-3-yn-2-one
CID 11481265
6-[tert-butyl(dimethyl)silyl]-1-(4-methylphenyl)hex-5-yn-1-one
CID 177480493
5-[2-(4-methylphenyl)ethynyl]pyrimidine
CID 44593410

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[2-(4-methylphenyl)ethynyl]silane?
The IUPAC name of tert-butyl-dimethyl-[2-(4-methylphenyl)ethynyl]silane (CID 15258945) is tert-butyl-dimethyl-[2-(4-methylphenyl)ethynyl]silane.
What is the SMILES notation for tert-butyl-dimethyl-[2-(4-methylphenyl)ethynyl]silane?
The canonical SMILES for tert-butyl-dimethyl-[2-(4-methylphenyl)ethynyl]silane is Cc1ccc(C#C[Si](C)(C)C(C)(C)C)cc1.
What is the InChIKey of tert-butyl-dimethyl-[2-(4-methylphenyl)ethynyl]silane?
The InChIKey is YTVZYZGOLPHPCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22Si/c1-13-7-9-14(10-8-13)11-12-16(5,6)15(2,3)4/h7-10H,1-6H3.
What are the key properties of tert-butyl-dimethyl-[2-(4-methylphenyl)ethynyl]silane?
tert-butyl-dimethyl-[2-(4-methylphenyl)ethynyl]silane has a molecular weight of 230.43 g/mol, XLogP of 4.39, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[2-(4-methylphenyl)ethynyl]silane is sourced from PubChem (CID 15258945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).