(2-but-3-enyl-1-oxido-2,3,4,5-tetrahydropyridin-1-ium-6-yl)methyl-tert-butyl-dimethylsilane

C16H31NOSi — CID 10062273

IUPAC(2-but-3-enyl-1-oxido-2,3,4,5-tetrahydropyridin-1-ium-6-yl)methyl-tert-butyl-dimethylsilane
SMILESC=CCCC1CCCC(C[Si](C)(C)C(C)(C)C)=[N+]1[O-]
InChIInChI=1S/C16H31NOSi/c1-7-8-10-14-11-9-12-15(17(14)18)13-19(5,6)16(2,3)4/h7,14H,1,8-13H2,2-6H3
InChIKeyBOVKKTZLIREXHB-UHFFFAOYSA-N
MW281.52 g/mol
LogP4.96
Rot. Bonds5

About (2-but-3-enyl-1-oxido-2,3,4,5-tetrahydropyridin-1-ium-6-yl)methyl-tert-butyl-dimethylsilane

(2-but-3-enyl-1-oxido-2,3,4,5-tetrahydropyridin-1-ium-6-yl)methyl-tert-butyl-dimethylsilane (PubChem CID 10062273) has the molecular formula C16H31NOSi and a molecular weight of 281.52 g/mol. Its IUPAC name is (2-but-3-enyl-1-oxido-2,3,4,5-tetrahydropyridin-1-ium-6-yl)methyl-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name(2-but-3-enyl-1-oxido-2,3,4,5-tetrahydropyridin-1-ium-6-yl)methyl-tert-butyl-dimethylsilane
PubChem CID10062273
Molecular FormulaC16H31NOSi
Molecular Weight281.52 g/mol
Exact Mass281.22
IUPAC Name(2-but-3-enyl-1-oxido-2,3,4,5-tetrahydropyridin-1-ium-6-yl)methyl-tert-butyl-dimethylsilane
SMILESC=CCCC1CCCC(C[Si](C)(C)C(C)(C)C)=[N+]1[O-]
InChIInChI=1S/C16H31NOSi/c1-7-8-10-14-11-9-12-15(17(14)18)13-19(5,6)16(2,3)4/h7,14H,1,8-13H2,2-6H3
InChIKeyBOVKKTZLIREXHB-UHFFFAOYSA-N
XLogP4.96
TPSA26.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.52
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

2-(3-Butenyl)-6-methyl-2,3,4,5-tetrahydropyridine 1-oxide
CID 14808042
2-Allyl-6-pentyl-2,3,4,5-tetrahydropyridine 1-oxide
CID 129798451
trimethyl-[2-[[(2S)-6-pentyl-2,3,4,5-tetrahydropyridin-2-yl]methyl]prop-2-enyl]silane
CID 134964214

Frequently Asked Questions

What is the IUPAC name of (2-but-3-enyl-1-oxido-2,3,4,5-tetrahydropyridin-1-ium-6-yl)methyl-tert-butyl-dimethylsilane?
The IUPAC name of (2-but-3-enyl-1-oxido-2,3,4,5-tetrahydropyridin-1-ium-6-yl)methyl-tert-butyl-dimethylsilane (CID 10062273) is (2-but-3-enyl-1-oxido-2,3,4,5-tetrahydropyridin-1-ium-6-yl)methyl-tert-butyl-dimethylsilane.
What is the SMILES notation for (2-but-3-enyl-1-oxido-2,3,4,5-tetrahydropyridin-1-ium-6-yl)methyl-tert-butyl-dimethylsilane?
The canonical SMILES for (2-but-3-enyl-1-oxido-2,3,4,5-tetrahydropyridin-1-ium-6-yl)methyl-tert-butyl-dimethylsilane is C=CCCC1CCCC(C[Si](C)(C)C(C)(C)C)=[N+]1[O-].
What is the InChIKey of (2-but-3-enyl-1-oxido-2,3,4,5-tetrahydropyridin-1-ium-6-yl)methyl-tert-butyl-dimethylsilane?
The InChIKey is BOVKKTZLIREXHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NOSi/c1-7-8-10-14-11-9-12-15(17(14)18)13-19(5,6)16(2,3)4/h7,14H,1,8-13H2,2-6H3.
What are the key properties of (2-but-3-enyl-1-oxido-2,3,4,5-tetrahydropyridin-1-ium-6-yl)methyl-tert-butyl-dimethylsilane?
(2-but-3-enyl-1-oxido-2,3,4,5-tetrahydropyridin-1-ium-6-yl)methyl-tert-butyl-dimethylsilane has a molecular weight of 281.52 g/mol, XLogP of 4.96, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-but-3-enyl-1-oxido-2,3,4,5-tetrahydropyridin-1-ium-6-yl)methyl-tert-butyl-dimethylsilane is sourced from PubChem (CID 10062273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).