cyclohexyl-hydroxy-dimethylazanium perchlorate

C8H18ClNO5 — CID 16726157

IUPACcyclohexyl-hydroxy-dimethylazanium perchlorate
SMILESC[N+](C)(O)C1CCCCC1.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C8H18NO.ClHO4/c1-9(2,10)8-6-4-3-5-7-8;2-1(3,4)5/h8,10H,3-7H2,1-2H3;(H,2,3,4,5)/q+1;/p-1
InChIKeyPHTZSRZWYIGMHD-UHFFFAOYSA-M
MW243.69 g/mol
LogP-2.97
Rot. Bonds1

About cyclohexyl-hydroxy-dimethylazanium perchlorate

cyclohexyl-hydroxy-dimethylazanium perchlorate (PubChem CID 16726157) has the molecular formula C8H18ClNO5 and a molecular weight of 243.69 g/mol. Its IUPAC name is cyclohexyl-hydroxy-dimethylazanium perchlorate.

Molecular Properties

Compound Namecyclohexyl-hydroxy-dimethylazanium perchlorate
PubChem CID16726157
Molecular FormulaC8H18ClNO5
Molecular Weight243.69 g/mol
Exact Mass243.09
IUPAC Namecyclohexyl-hydroxy-dimethylazanium perchlorate
SMILESC[N+](C)(O)C1CCCCC1.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C8H18NO.ClHO4/c1-9(2,10)8-6-4-3-5-7-8;2-1(3,4)5/h8,10H,3-7H2,1-2H3;(H,2,3,4,5)/q+1;/p-1
InChIKeyPHTZSRZWYIGMHD-UHFFFAOYSA-M
XLogP-2.97
TPSA112.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.69
LogP ≤ 5-2.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

cyclodecyl(trimethyl)azanium chloride
CID 134900881
cyclododecyl(trimethyl)azanium bromide
CID 175020477
cyclohexyl-dimethyl-sulfanylazanium
CID 143973159
tris(cyclododecyl(trimethyl)azanium);phosphate
CID 175529097
cyclohexyl(trimethyl)azanium nitrate
CID 15953491
cyclohexyl(trimethyl)azanium;fluoroform
CID 158064313
cyclohexyl(trimethyl)azanium tetrafluoroborate
CID 139649769
tetra(cyclodecyl)azanium bromide
CID 139704805
cyclohexyl-ethyl-dimethylazanium;hydroxide;hydrate
CID 171472457
cyclohexyl-(difluoromethyl)-dimethylazanium iodide
CID 24750838
cyclopentyl-diethyl-methylazanium
CID 153152970
dicyclohexylmethyl(trimethyl)azanium
CID 140500252

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-hydroxy-dimethylazanium perchlorate?
The IUPAC name of cyclohexyl-hydroxy-dimethylazanium perchlorate (CID 16726157) is cyclohexyl-hydroxy-dimethylazanium perchlorate.
What is the SMILES notation for cyclohexyl-hydroxy-dimethylazanium perchlorate?
The canonical SMILES for cyclohexyl-hydroxy-dimethylazanium perchlorate is C[N+](C)(O)C1CCCCC1.[O-][Cl+3]([O-])([O-])[O-].
What is the InChIKey of cyclohexyl-hydroxy-dimethylazanium perchlorate?
The InChIKey is PHTZSRZWYIGMHD-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H18NO.ClHO4/c1-9(2,10)8-6-4-3-5-7-8;2-1(3,4)5/h8,10H,3-7H2,1-2H3;(H,2,3,4,5)/q+1;/p-1.
What are the key properties of cyclohexyl-hydroxy-dimethylazanium perchlorate?
cyclohexyl-hydroxy-dimethylazanium perchlorate has a molecular weight of 243.69 g/mol, XLogP of -2.97, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-hydroxy-dimethylazanium perchlorate is sourced from PubChem (CID 16726157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).