tert-butyl-[1-(2-hex-1-ynylphenyl)prop-2-enoxy]-dimethylsilane

C21H32OSi — CID 11209662

IUPACtert-butyl-[1-(2-hex-1-ynylphenyl)prop-2-enoxy]-dimethylsilane
SMILESC=CC(O[Si](C)(C)C(C)(C)C)c1ccccc1C#CCCCC
InChIInChI=1S/C21H32OSi/c1-8-10-11-12-15-18-16-13-14-17-19(18)20(9-2)22-23(6,7)21(3,4)5/h9,13-14,16-17,20H,2,8,10-11H2,1,3-7H3
InChIKeyMBTKARVFDRFAOC-UHFFFAOYSA-N
MW328.57 g/mol
LogP6.48
Rot. Bonds6

About tert-butyl-[1-(2-hex-1-ynylphenyl)prop-2-enoxy]-dimethylsilane

tert-butyl-[1-(2-hex-1-ynylphenyl)prop-2-enoxy]-dimethylsilane (PubChem CID 11209662) has the molecular formula C21H32OSi and a molecular weight of 328.57 g/mol. Its IUPAC name is tert-butyl-[1-(2-hex-1-ynylphenyl)prop-2-enoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[1-(2-hex-1-ynylphenyl)prop-2-enoxy]-dimethylsilane
PubChem CID11209662
Molecular FormulaC21H32OSi
Molecular Weight328.57 g/mol
Exact Mass328.22
IUPAC Nametert-butyl-[1-(2-hex-1-ynylphenyl)prop-2-enoxy]-dimethylsilane
SMILESC=CC(O[Si](C)(C)C(C)(C)C)c1ccccc1C#CCCCC
InChIInChI=1S/C21H32OSi/c1-8-10-11-12-15-18-16-13-14-17-19(18)20(9-2)22-23(6,7)21(3,4)5/h9,13-14,16-17,20H,2,8,10-11H2,1,3-7H3
InChIKeyMBTKARVFDRFAOC-UHFFFAOYSA-N
XLogP6.48
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.57
LogP ≤ 56.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[1-(2-hex-1-ynylphenyl)prop-2-enoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[1-(2-hex-1-ynylphenyl)prop-2-enoxy]-dimethylsilane (CID 11209662) is tert-butyl-[1-(2-hex-1-ynylphenyl)prop-2-enoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[1-(2-hex-1-ynylphenyl)prop-2-enoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[1-(2-hex-1-ynylphenyl)prop-2-enoxy]-dimethylsilane is C=CC(O[Si](C)(C)C(C)(C)C)c1ccccc1C#CCCCC.
What is the InChIKey of tert-butyl-[1-(2-hex-1-ynylphenyl)prop-2-enoxy]-dimethylsilane?
The InChIKey is MBTKARVFDRFAOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32OSi/c1-8-10-11-12-15-18-16-13-14-17-19(18)20(9-2)22-23(6,7)21(3,4)5/h9,13-14,16-17,20H,2,8,10-11H2,1,3-7H3.
What are the key properties of tert-butyl-[1-(2-hex-1-ynylphenyl)prop-2-enoxy]-dimethylsilane?
tert-butyl-[1-(2-hex-1-ynylphenyl)prop-2-enoxy]-dimethylsilane has a molecular weight of 328.57 g/mol, XLogP of 6.48, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[1-(2-hex-1-ynylphenyl)prop-2-enoxy]-dimethylsilane is sourced from PubChem (CID 11209662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).