hydron;octanoate

C8H16O2 — CID 135372298

💊View drug profile → octanoic acid
IUPAChydron;octanoate
SMILESCCCCCCCC(=O)[O-].[H+]
InChIInChI=1S/C8H16O2/c1-2-3-4-5-6-7-8(9)10/h2-7H2,1H3,(H,9,10)
InChIKeyWWZKQHOCKIZLMA-UHFFFAOYSA-N
MW144.21 g/mol
LogP1.21
Rot. Bonds6

About hydron;octanoate

hydron;octanoate (PubChem CID 135372298) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is hydron;octanoate.

Molecular Properties

Compound Namehydron;octanoate
PubChem CID135372298
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Namehydron;octanoate
SMILESCCCCCCCC(=O)[O-].[H+]
InChIInChI=1S/C8H16O2/c1-2-3-4-5-6-7-8(9)10/h2-7H2,1H3,(H,9,10)
InChIKeyWWZKQHOCKIZLMA-UHFFFAOYSA-N
XLogP1.21
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.21
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 hydron;octanoate?
The IUPAC name of hydron;octanoate (CID 135372298) is hydron;octanoate.
What is the SMILES notation for hydron;octanoate?
The canonical SMILES for hydron;octanoate is CCCCCCCC(=O)[O-].[H+].
What is the InChIKey of hydron;octanoate?
The InChIKey is WWZKQHOCKIZLMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2/c1-2-3-4-5-6-7-8(9)10/h2-7H2,1H3,(H,9,10).
What are the key properties of hydron;octanoate?
hydron;octanoate has a molecular weight of 144.21 g/mol, XLogP of 1.21, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hydron;octanoate is sourced from PubChem (CID 135372298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).