[cyclopentyl-[(Z)-hex-1-enyl]sulfanylmethylidene]-dimethylazanium tetrafluoroborate

C14H26BF4NS — CID 134919585

IUPAC[cyclopentyl-[(Z)-hex-1-enyl]sulfanylmethylidene]-dimethylazanium tetrafluoroborate
SMILESCCCC/C=C\SC(C1CCCC1)=[N+](C)C.F[B-](F)(F)F
InChIInChI=1S/C14H26NS.BF4/c1-4-5-6-9-12-16-14(15(2)3)13-10-7-8-11-13;2-1(3,4)5/h9,12-13H,4-8,10-11H2,1-3H3;/q+1;-1/b12-9-;
InChIKeyJQLIFOXFYXAFOP-MWMYENNMSA-N
MW327.24 g/mol
LogP5.58
Rot. Bonds5

About [cyclopentyl-[(Z)-hex-1-enyl]sulfanylmethylidene]-dimethylazanium tetrafluoroborate

[cyclopentyl-[(Z)-hex-1-enyl]sulfanylmethylidene]-dimethylazanium tetrafluoroborate (PubChem CID 134919585) has the molecular formula C14H26BF4NS and a molecular weight of 327.24 g/mol. Its IUPAC name is [cyclopentyl-[(Z)-hex-1-enyl]sulfanylmethylidene]-dimethylazanium tetrafluoroborate.

Molecular Properties

Compound Name[cyclopentyl-[(Z)-hex-1-enyl]sulfanylmethylidene]-dimethylazanium tetrafluoroborate
PubChem CID134919585
Molecular FormulaC14H26BF4NS
Molecular Weight327.24 g/mol
Exact Mass327.18
IUPAC Name[cyclopentyl-[(Z)-hex-1-enyl]sulfanylmethylidene]-dimethylazanium tetrafluoroborate
SMILESCCCC/C=C\SC(C1CCCC1)=[N+](C)C.F[B-](F)(F)F
InChIInChI=1S/C14H26NS.BF4/c1-4-5-6-9-12-16-14(15(2)3)13-10-7-8-11-13;2-1(3,4)5/h9,12-13H,4-8,10-11H2,1-3H3;/q+1;-1/b12-9-;
InChIKeyJQLIFOXFYXAFOP-MWMYENNMSA-N
XLogP5.58
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.24
LogP ≤ 55.58
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': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

[cyclohexyl-[(Z)-hex-1-enyl]sulfanylmethylidene]-dimethylazanium tetrafluoroborate
CID 11256322
1-[(Z)-hex-1-enyl]sulfanylpentylidene-dimethylazanium tetrafluoroborate
CID 134919589
[cyclopentyl-[(Z)-hex-1-enyl]sulfanylmethylidene]-dimethylazanium
CID 134919586

Frequently Asked Questions

What is the IUPAC name of [cyclopentyl-[(Z)-hex-1-enyl]sulfanylmethylidene]-dimethylazanium tetrafluoroborate?
The IUPAC name of [cyclopentyl-[(Z)-hex-1-enyl]sulfanylmethylidene]-dimethylazanium tetrafluoroborate (CID 134919585) is [cyclopentyl-[(Z)-hex-1-enyl]sulfanylmethylidene]-dimethylazanium tetrafluoroborate.
What is the SMILES notation for [cyclopentyl-[(Z)-hex-1-enyl]sulfanylmethylidene]-dimethylazanium tetrafluoroborate?
The canonical SMILES for [cyclopentyl-[(Z)-hex-1-enyl]sulfanylmethylidene]-dimethylazanium tetrafluoroborate is CCCC/C=C\SC(C1CCCC1)=[N+](C)C.F[B-](F)(F)F.
What is the InChIKey of [cyclopentyl-[(Z)-hex-1-enyl]sulfanylmethylidene]-dimethylazanium tetrafluoroborate?
The InChIKey is JQLIFOXFYXAFOP-MWMYENNMSA-N. The full InChI is InChI=1S/C14H26NS.BF4/c1-4-5-6-9-12-16-14(15(2)3)13-10-7-8-11-13;2-1(3,4)5/h9,12-13H,4-8,10-11H2,1-3H3;/q+1;-1/b12-9-;.
What are the key properties of [cyclopentyl-[(Z)-hex-1-enyl]sulfanylmethylidene]-dimethylazanium tetrafluoroborate?
[cyclopentyl-[(Z)-hex-1-enyl]sulfanylmethylidene]-dimethylazanium tetrafluoroborate has a molecular weight of 327.24 g/mol, XLogP of 5.58, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [cyclopentyl-[(Z)-hex-1-enyl]sulfanylmethylidene]-dimethylazanium tetrafluoroborate is sourced from PubChem (CID 134919585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).