azanium;2,2,3-trimethyl-3-octadecyloxirane;chloride

C23H50ClNO — CID 160540589

IUPACazanium;2,2,3-trimethyl-3-octadecyloxirane;chloride
SMILESCCCCCCCCCCCCCCCCCCC1(C)OC1(C)C.[Cl-].[NH4+]
InChIInChI=1S/C23H46O.ClH.H3N/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23(4)22(2,3)24-23;;/h5-21H2,1-4H3;1H;1H3
InChIKeyAJNRLVIHJFYXRM-UHFFFAOYSA-N
MW392.11 g/mol
LogP5.59
Rot. Bonds17

About azanium;2,2,3-trimethyl-3-octadecyloxirane;chloride

azanium;2,2,3-trimethyl-3-octadecyloxirane;chloride (PubChem CID 160540589) has the molecular formula C23H50ClNO and a molecular weight of 392.11 g/mol. Its IUPAC name is azanium;2,2,3-trimethyl-3-octadecyloxirane;chloride.

Molecular Properties

Compound Nameazanium;2,2,3-trimethyl-3-octadecyloxirane;chloride
PubChem CID160540589
Molecular FormulaC23H50ClNO
Molecular Weight392.11 g/mol
Exact Mass391.36
IUPAC Nameazanium;2,2,3-trimethyl-3-octadecyloxirane;chloride
SMILESCCCCCCCCCCCCCCCCCCC1(C)OC1(C)C.[Cl-].[NH4+]
InChIInChI=1S/C23H46O.ClH.H3N/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23(4)22(2,3)24-23;;/h5-21H2,1-4H3;1H;1H3
InChIKeyAJNRLVIHJFYXRM-UHFFFAOYSA-N
XLogP5.59
TPSA49.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.11
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

2-heptyl-2,3,3-trimethyloxirane
CID 19373807
(3-docosyl-2-ethyl-3-methyloxiran-2-yl)azanium chloride
CID 141357759
2,2,3,3,4-pentamethyl-4-[6-(2,3,3,4,4-pentamethyloxetan-2-yl)hexyl]oxetane
CID 59672090
(3,3-dimethyl-2-undecyloxiran-2-yl)azanium bromide
CID 141364234
azanium;dodecane;chloride
CID 172693740
azanium;octacosane;chloride
CID 172810874
4,5,8,9-tetraheptyl-4,5,8,9-tetramethyl-1,3,6,7,2-tetraoxathionane
CID 166754801
undecane chloride
CID 19736895
3-hexyl-2,2,5,5-tetramethyloxolan-3-ol
CID 79928233
2-dodecyl-2,6,6-trimethyloxane
CID 134843954
2-methyl-2-nonadecyloxirane
CID 87754306
2-hexadecyl-2-methyloxirane
CID 87444144

Frequently Asked Questions

What is the IUPAC name of azanium;2,2,3-trimethyl-3-octadecyloxirane;chloride?
The IUPAC name of azanium;2,2,3-trimethyl-3-octadecyloxirane;chloride (CID 160540589) is azanium;2,2,3-trimethyl-3-octadecyloxirane;chloride.
What is the SMILES notation for azanium;2,2,3-trimethyl-3-octadecyloxirane;chloride?
The canonical SMILES for azanium;2,2,3-trimethyl-3-octadecyloxirane;chloride is CCCCCCCCCCCCCCCCCCC1(C)OC1(C)C.[Cl-].[NH4+].
What is the InChIKey of azanium;2,2,3-trimethyl-3-octadecyloxirane;chloride?
The InChIKey is AJNRLVIHJFYXRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H46O.ClH.H3N/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23(4)22(2,3)24-23;;/h5-21H2,1-4H3;1H;1H3.
What are the key properties of azanium;2,2,3-trimethyl-3-octadecyloxirane;chloride?
azanium;2,2,3-trimethyl-3-octadecyloxirane;chloride has a molecular weight of 392.11 g/mol, XLogP of 5.59, 17 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for azanium;2,2,3-trimethyl-3-octadecyloxirane;chloride is sourced from PubChem (CID 160540589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).