deuterium monohydride;[5-(hexoxymethyl)furan-2-yl]methyl-trimethylazanium;iodide

C15H30INO2 — CID 161053236

IUPACdeuterium monohydride;[5-(hexoxymethyl)furan-2-yl]methyl-trimethylazanium;iodide
SMILESCCCCCCOCc1ccc(C[N+](C)(C)C)o1.[H][2H].[I-]
InChIInChI=1S/C15H28NO2.HI.H2/c1-5-6-7-8-11-17-13-15-10-9-14(18-15)12-16(2,3)4;;/h9-10H,5-8,11-13H2,1-4H3;2*1H/q+1;;/p-1/i;;1+1
InChIKeyGROVRPSMQCGZLD-FCHARDOESA-M
MW384.32 g/mol
LogP0.83
Rot. Bonds9

About deuterium monohydride;[5-(hexoxymethyl)furan-2-yl]methyl-trimethylazanium;iodide

deuterium monohydride;[5-(hexoxymethyl)furan-2-yl]methyl-trimethylazanium;iodide (PubChem CID 161053236) has the molecular formula C15H30INO2 and a molecular weight of 384.32 g/mol. Its IUPAC name is deuterium monohydride;[5-(hexoxymethyl)furan-2-yl]methyl-trimethylazanium;iodide.

Molecular Properties

Compound Namedeuterium monohydride;[5-(hexoxymethyl)furan-2-yl]methyl-trimethylazanium;iodide
PubChem CID161053236
Molecular FormulaC15H30INO2
Molecular Weight384.32 g/mol
Exact Mass384.14
IUPAC Namedeuterium monohydride;[5-(hexoxymethyl)furan-2-yl]methyl-trimethylazanium;iodide
SMILESCCCCCCOCc1ccc(C[N+](C)(C)C)o1.[H][2H].[I-]
InChIInChI=1S/C15H28NO2.HI.H2/c1-5-6-7-8-11-17-13-15-10-9-14(18-15)12-16(2,3)4;;/h9-10H,5-8,11-13H2,1-4H3;2*1H/q+1;;/p-1/i;;1+1
InChIKeyGROVRPSMQCGZLD-FCHARDOESA-M
XLogP0.83
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.32
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of deuterium monohydride;[5-(hexoxymethyl)furan-2-yl]methyl-trimethylazanium;iodide?
The IUPAC name of deuterium monohydride;[5-(hexoxymethyl)furan-2-yl]methyl-trimethylazanium;iodide (CID 161053236) is deuterium monohydride;[5-(hexoxymethyl)furan-2-yl]methyl-trimethylazanium;iodide.
What is the SMILES notation for deuterium monohydride;[5-(hexoxymethyl)furan-2-yl]methyl-trimethylazanium;iodide?
The canonical SMILES for deuterium monohydride;[5-(hexoxymethyl)furan-2-yl]methyl-trimethylazanium;iodide is CCCCCCOCc1ccc(C[N+](C)(C)C)o1.[H][2H].[I-].
What is the InChIKey of deuterium monohydride;[5-(hexoxymethyl)furan-2-yl]methyl-trimethylazanium;iodide?
The InChIKey is GROVRPSMQCGZLD-FCHARDOESA-M. The full InChI is InChI=1S/C15H28NO2.HI.H2/c1-5-6-7-8-11-17-13-15-10-9-14(18-15)12-16(2,3)4;;/h9-10H,5-8,11-13H2,1-4H3;2*1H/q+1;;/p-1/i;;1+1.
What are the key properties of deuterium monohydride;[5-(hexoxymethyl)furan-2-yl]methyl-trimethylazanium;iodide?
deuterium monohydride;[5-(hexoxymethyl)furan-2-yl]methyl-trimethylazanium;iodide has a molecular weight of 384.32 g/mol, XLogP of 0.83, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for deuterium monohydride;[5-(hexoxymethyl)furan-2-yl]methyl-trimethylazanium;iodide is sourced from PubChem (CID 161053236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).