6-ethenyl-1,2,2,3,3,4-hexamethyl-5-prop-1-enylpyridin-1-ium

C16H26N+ — CID 123781108

IUPAC6-ethenyl-1,2,2,3,3,4-hexamethyl-5-prop-1-enylpyridin-1-ium
SMILESC=CC1=[N+](C)C(C)(C)C(C)(C)C(C)=C1C=CC
InChIInChI=1S/C16H26N/c1-9-11-13-12(3)15(4,5)16(6,7)17(8)14(13)10-2/h9-11H,2H2,1,3-8H3/q+1
InChIKeyCFYXJSDLVOTIRT-UHFFFAOYSA-N
MW232.39 g/mol
LogP3.97
Rot. Bonds2

About 6-ethenyl-1,2,2,3,3,4-hexamethyl-5-prop-1-enylpyridin-1-ium

6-ethenyl-1,2,2,3,3,4-hexamethyl-5-prop-1-enylpyridin-1-ium (PubChem CID 123781108) has the molecular formula C16H26N+ and a molecular weight of 232.39 g/mol. Its IUPAC name is 6-ethenyl-1,2,2,3,3,4-hexamethyl-5-prop-1-enylpyridin-1-ium.

Molecular Properties

Compound Name6-ethenyl-1,2,2,3,3,4-hexamethyl-5-prop-1-enylpyridin-1-ium
PubChem CID123781108
Molecular FormulaC16H26N+
Molecular Weight232.39 g/mol
Exact Mass232.21
IUPAC Name6-ethenyl-1,2,2,3,3,4-hexamethyl-5-prop-1-enylpyridin-1-ium
SMILESC=CC1=[N+](C)C(C)(C)C(C)(C)C(C)=C1C=CC
InChIInChI=1S/C16H26N/c1-9-11-13-12(3)15(4,5)16(6,7)17(8)14(13)10-2/h9-11H,2H2,1,3-8H3/q+1
InChIKeyCFYXJSDLVOTIRT-UHFFFAOYSA-N
XLogP3.97
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.39
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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CID 123158765
4-Ethenyl-2-[(6-ethenyl-4-ethylidene-5-prop-2-enylidene-2-pyridinyl)methyl]-1,2,3,3-tetramethyl-5-prop-1-enyl-6-prop-1-en-2-ylpyridin-1-ium
CID 123169263
5-Tert-butylhepta-3,5-dien-2-ylidene-(4-ethyl-3-methyl-5-methylidenehept-6-en-3-yl)-methylazanium
CID 123448283
4-ethenyl-6-ethyl-1-ethylidene-5,5-dimethyl-6-prop-1-en-2-yl-2H-pyridin-1-ium
CID 123655964
6-But-1-en-2-yl-1,2,2,3,3,4-hexamethyl-5-prop-1-enylpyridin-1-ium
CID 123681175
6-Ethenyl-2,2,3,3,4-pentamethyl-5-prop-1-enylpyridine
CID 123865418
6-But-1-en-2-yl-2,2,3,3,4-pentamethyl-5-prop-1-enylpyridine
CID 123965894
(1Z)-1-(3-tert-butyl-6-methylidenecyclohexa-2,4-dien-1-ylidene)-N,3,4,4-tetramethylpentan-2-imine
CID 138507213
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1-cyclohexa-1,5-dien-1-yl-N-(2-cyclohexa-2,4-dien-1-ylpropan-2-yl)prop-2-en-1-imine
CID 146662322
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CID 155330624

Frequently Asked Questions

What is the IUPAC name of 6-ethenyl-1,2,2,3,3,4-hexamethyl-5-prop-1-enylpyridin-1-ium?
The IUPAC name of 6-ethenyl-1,2,2,3,3,4-hexamethyl-5-prop-1-enylpyridin-1-ium (CID 123781108) is 6-ethenyl-1,2,2,3,3,4-hexamethyl-5-prop-1-enylpyridin-1-ium.
What is the SMILES notation for 6-ethenyl-1,2,2,3,3,4-hexamethyl-5-prop-1-enylpyridin-1-ium?
The canonical SMILES for 6-ethenyl-1,2,2,3,3,4-hexamethyl-5-prop-1-enylpyridin-1-ium is C=CC1=[N+](C)C(C)(C)C(C)(C)C(C)=C1C=CC.
What is the InChIKey of 6-ethenyl-1,2,2,3,3,4-hexamethyl-5-prop-1-enylpyridin-1-ium?
The InChIKey is CFYXJSDLVOTIRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N/c1-9-11-13-12(3)15(4,5)16(6,7)17(8)14(13)10-2/h9-11H,2H2,1,3-8H3/q+1.
What are the key properties of 6-ethenyl-1,2,2,3,3,4-hexamethyl-5-prop-1-enylpyridin-1-ium?
6-ethenyl-1,2,2,3,3,4-hexamethyl-5-prop-1-enylpyridin-1-ium has a molecular weight of 232.39 g/mol, XLogP of 3.97, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethenyl-1,2,2,3,3,4-hexamethyl-5-prop-1-enylpyridin-1-ium is sourced from PubChem (CID 123781108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).