4-(1-but-3-enylpyridin-1-ium-2-yl)but-3-ynoxy-tert-butyl-dimethylsilane

C19H30NOSi+ — CID 11705392

IUPAC4-(1-but-3-enylpyridin-1-ium-2-yl)but-3-ynoxy-tert-butyl-dimethylsilane
SMILESC=CCC[n+]1ccccc1C#CCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H30NOSi/c1-7-8-15-20-16-11-9-13-18(20)14-10-12-17-21-22(5,6)19(2,3)4/h7,9,11,13,16H,1,8,12,15,17H2,2-6H3/q+1
InChIKeyCSULRROGZJDQET-UHFFFAOYSA-N
MW316.54 g/mol
LogP4.31
Rot. Bonds6

About 4-(1-but-3-enylpyridin-1-ium-2-yl)but-3-ynoxy-tert-butyl-dimethylsilane

4-(1-but-3-enylpyridin-1-ium-2-yl)but-3-ynoxy-tert-butyl-dimethylsilane (PubChem CID 11705392) has the molecular formula C19H30NOSi+ and a molecular weight of 316.54 g/mol. Its IUPAC name is 4-(1-but-3-enylpyridin-1-ium-2-yl)but-3-ynoxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name4-(1-but-3-enylpyridin-1-ium-2-yl)but-3-ynoxy-tert-butyl-dimethylsilane
PubChem CID11705392
Molecular FormulaC19H30NOSi+
Molecular Weight316.54 g/mol
Exact Mass316.21
IUPAC Name4-(1-but-3-enylpyridin-1-ium-2-yl)but-3-ynoxy-tert-butyl-dimethylsilane
SMILESC=CCC[n+]1ccccc1C#CCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H30NOSi/c1-7-8-15-20-16-11-9-13-18(20)14-10-12-17-21-22(5,6)19(2,3)4/h7,9,11,13,16H,1,8,12,15,17H2,2-6H3/q+1
InChIKeyCSULRROGZJDQET-UHFFFAOYSA-N
XLogP4.31
TPSA13.11 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.54
LogP ≤ 54.31
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': 'quaternary_nitrogen_1', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

tert-butyl-[4-(2-iodophenyl)but-3-ynoxy]-dimethylsilane
CID 53355261
(5-bromo-5,5-difluoropent-3-ynoxy)-tert-butyl-dimethylsilane
CID 15222237
tert-butyl-dimethyl-[4-(4-nitrophenyl)but-3-ynoxy]silane
CID 134112604
tert-butyl-[(Z)-6-chlorohex-5-en-3-ynoxy]-dimethylsilane
CID 11021150
6-[tert-butyl(dimethyl)silyl]oxy-1-phenylhex-3-yne-1,2-dione
CID 135028614
CID 21344899
CID 21344899
tert-butyl-[4-(4,5-dimethylthiophen-2-yl)but-3-ynoxy]-dimethylsilane
CID 157387297
tert-butyl-dimethyl-octadec-17-enoxysilane
CID 24879926
2-benzyl-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]pent-4-enenitrile
CID 18464852
tert-butyl-dimethyl-(6-trimethylsilylhexa-3,5-diynoxy)silane
CID 71658883
tert-butyl-dimethyl-(2-phenylethoxy)silane
CID 11128311
tert-butyl-[3-(2-chlorophenyl)sulfanylpropoxy]-dimethylsilane
CID 141310434

Frequently Asked Questions

What is the IUPAC name of 4-(1-but-3-enylpyridin-1-ium-2-yl)but-3-ynoxy-tert-butyl-dimethylsilane?
The IUPAC name of 4-(1-but-3-enylpyridin-1-ium-2-yl)but-3-ynoxy-tert-butyl-dimethylsilane (CID 11705392) is 4-(1-but-3-enylpyridin-1-ium-2-yl)but-3-ynoxy-tert-butyl-dimethylsilane.
What is the SMILES notation for 4-(1-but-3-enylpyridin-1-ium-2-yl)but-3-ynoxy-tert-butyl-dimethylsilane?
The canonical SMILES for 4-(1-but-3-enylpyridin-1-ium-2-yl)but-3-ynoxy-tert-butyl-dimethylsilane is C=CCC[n+]1ccccc1C#CCCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of 4-(1-but-3-enylpyridin-1-ium-2-yl)but-3-ynoxy-tert-butyl-dimethylsilane?
The InChIKey is CSULRROGZJDQET-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30NOSi/c1-7-8-15-20-16-11-9-13-18(20)14-10-12-17-21-22(5,6)19(2,3)4/h7,9,11,13,16H,1,8,12,15,17H2,2-6H3/q+1.
What are the key properties of 4-(1-but-3-enylpyridin-1-ium-2-yl)but-3-ynoxy-tert-butyl-dimethylsilane?
4-(1-but-3-enylpyridin-1-ium-2-yl)but-3-ynoxy-tert-butyl-dimethylsilane has a molecular weight of 316.54 g/mol, XLogP of 4.31, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-but-3-enylpyridin-1-ium-2-yl)but-3-ynoxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 11705392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).