[4-(cyclohexylmethyl)-1-methylidene-6-(2,4,6-trimethylphenyl)pyridin-1-ium-6-id-3-yl]-trimethylsilane

C25H37NSi — CID 166575435

IUPAC[4-(cyclohexylmethyl)-1-methylidene-6-(2,4,6-trimethylphenyl)pyridin-1-ium-6-id-3-yl]-trimethylsilane
SMILESC=[N+]1C=C([Si](C)(C)C)C(CC2CCCCC2)=C[C-]1c1c(C)cc(C)cc1C
InChIInChI=1S/C25H37NSi/c1-18-13-19(2)25(20(3)14-18)23-16-22(15-21-11-9-8-10-12-21)24(17-26(23)4)27(5,6)7/h13-14,16-17,21H,4,8-12,15H2,1-3,5-7H3
InChIKeyYFDGLERXCJDKHP-UHFFFAOYSA-N
MW379.66 g/mol
LogP6.88
Rot. Bonds4

About [4-(cyclohexylmethyl)-1-methylidene-6-(2,4,6-trimethylphenyl)pyridin-1-ium-6-id-3-yl]-trimethylsilane

[4-(cyclohexylmethyl)-1-methylidene-6-(2,4,6-trimethylphenyl)pyridin-1-ium-6-id-3-yl]-trimethylsilane (PubChem CID 166575435) has the molecular formula C25H37NSi and a molecular weight of 379.66 g/mol. Its IUPAC name is [4-(cyclohexylmethyl)-1-methylidene-6-(2,4,6-trimethylphenyl)pyridin-1-ium-6-id-3-yl]-trimethylsilane.

Molecular Properties

Compound Name[4-(cyclohexylmethyl)-1-methylidene-6-(2,4,6-trimethylphenyl)pyridin-1-ium-6-id-3-yl]-trimethylsilane
PubChem CID166575435
Molecular FormulaC25H37NSi
Molecular Weight379.66 g/mol
Exact Mass379.27
IUPAC Name[4-(cyclohexylmethyl)-1-methylidene-6-(2,4,6-trimethylphenyl)pyridin-1-ium-6-id-3-yl]-trimethylsilane
SMILESC=[N+]1C=C([Si](C)(C)C)C(CC2CCCCC2)=C[C-]1c1c(C)cc(C)cc1C
InChIInChI=1S/C25H37NSi/c1-18-13-19(2)25(20(3)14-18)23-16-22(15-21-11-9-8-10-12-21)24(17-26(23)4)27(5,6)7/h13-14,16-17,21H,4,8-12,15H2,1-3,5-7H3
InChIKeyYFDGLERXCJDKHP-UHFFFAOYSA-N
XLogP6.88
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.66
LogP ≤ 56.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-(cyclohexylmethyl)-1-methylidene-6-(2,4,6-trimethylphenyl)pyridin-1-ium-6-id-3-yl]-trimethylsilane?
The IUPAC name of [4-(cyclohexylmethyl)-1-methylidene-6-(2,4,6-trimethylphenyl)pyridin-1-ium-6-id-3-yl]-trimethylsilane (CID 166575435) is [4-(cyclohexylmethyl)-1-methylidene-6-(2,4,6-trimethylphenyl)pyridin-1-ium-6-id-3-yl]-trimethylsilane.
What is the SMILES notation for [4-(cyclohexylmethyl)-1-methylidene-6-(2,4,6-trimethylphenyl)pyridin-1-ium-6-id-3-yl]-trimethylsilane?
The canonical SMILES for [4-(cyclohexylmethyl)-1-methylidene-6-(2,4,6-trimethylphenyl)pyridin-1-ium-6-id-3-yl]-trimethylsilane is C=[N+]1C=C([Si](C)(C)C)C(CC2CCCCC2)=C[C-]1c1c(C)cc(C)cc1C.
What is the InChIKey of [4-(cyclohexylmethyl)-1-methylidene-6-(2,4,6-trimethylphenyl)pyridin-1-ium-6-id-3-yl]-trimethylsilane?
The InChIKey is YFDGLERXCJDKHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H37NSi/c1-18-13-19(2)25(20(3)14-18)23-16-22(15-21-11-9-8-10-12-21)24(17-26(23)4)27(5,6)7/h13-14,16-17,21H,4,8-12,15H2,1-3,5-7H3.
What are the key properties of [4-(cyclohexylmethyl)-1-methylidene-6-(2,4,6-trimethylphenyl)pyridin-1-ium-6-id-3-yl]-trimethylsilane?
[4-(cyclohexylmethyl)-1-methylidene-6-(2,4,6-trimethylphenyl)pyridin-1-ium-6-id-3-yl]-trimethylsilane has a molecular weight of 379.66 g/mol, XLogP of 6.88, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(cyclohexylmethyl)-1-methylidene-6-(2,4,6-trimethylphenyl)pyridin-1-ium-6-id-3-yl]-trimethylsilane is sourced from PubChem (CID 166575435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).