5-oxooctylazanium

C8H18NO+ — CID 25202393

IUPAC5-oxooctylazanium
SMILESCCCC(=O)CCCC[NH3+]
InChIInChI=1S/C8H17NO/c1-2-5-8(10)6-3-4-7-9/h2-7,9H2,1H3/p+1
InChIKeyUYCHPUIDXXFEKR-UHFFFAOYSA-O
MW144.24 g/mol
LogP0.77
Rot. Bonds6

About 5-oxooctylazanium

5-oxooctylazanium (PubChem CID 25202393) has the molecular formula C8H18NO+ and a molecular weight of 144.24 g/mol. Its IUPAC name is 5-oxooctylazanium.

Molecular Properties

Compound Name5-oxooctylazanium
PubChem CID25202393
Molecular FormulaC8H18NO+
Molecular Weight144.24 g/mol
Exact Mass144.14
IUPAC Name5-oxooctylazanium
SMILESCCCC(=O)CCCC[NH3+]
InChIInChI=1S/C8H17NO/c1-2-5-8(10)6-3-4-7-9/h2-7,9H2,1H3/p+1
InChIKeyUYCHPUIDXXFEKR-UHFFFAOYSA-O
XLogP0.77
TPSA44.71 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.24
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-oxooctylazanium?
The IUPAC name of 5-oxooctylazanium (CID 25202393) is 5-oxooctylazanium.
What is the SMILES notation for 5-oxooctylazanium?
The canonical SMILES for 5-oxooctylazanium is CCCC(=O)CCCC[NH3+].
What is the InChIKey of 5-oxooctylazanium?
The InChIKey is UYCHPUIDXXFEKR-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H17NO/c1-2-5-8(10)6-3-4-7-9/h2-7,9H2,1H3/p+1.
What are the key properties of 5-oxooctylazanium?
5-oxooctylazanium has a molecular weight of 144.24 g/mol, XLogP of 0.77, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxooctylazanium is sourced from PubChem (CID 25202393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).