non-5-enoic acid

C9H16O2 — CID 53431349

IUPACnon-5-enoic acid
SMILESCCCC=CCCCC(=O)O
InChIInChI=1S/C9H16O2/c1-2-3-4-5-6-7-8-9(10)11/h4-5H,2-3,6-8H2,1H3,(H,10,11)
InChIKeyXEJITOJPSFRBPN-UHFFFAOYSA-N
MW156.22 g/mol
LogP2.60
Rot. Bonds6

About non-5-enoic acid

non-5-enoic acid (PubChem CID 53431349) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is non-5-enoic acid.

Molecular Properties

Compound Namenon-5-enoic acid
PubChem CID53431349
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Namenon-5-enoic acid
SMILESCCCC=CCCCC(=O)O
InChIInChI=1S/C9H16O2/c1-2-3-4-5-6-7-8-9(10)11/h4-5H,2-3,6-8H2,1H3,(H,10,11)
InChIKeyXEJITOJPSFRBPN-UHFFFAOYSA-N
XLogP2.60
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of non-5-enoic acid?
The IUPAC name of non-5-enoic acid (CID 53431349) is non-5-enoic acid.
What is the SMILES notation for non-5-enoic acid?
The canonical SMILES for non-5-enoic acid is CCCC=CCCCC(=O)O.
What is the InChIKey of non-5-enoic acid?
The InChIKey is XEJITOJPSFRBPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-2-3-4-5-6-7-8-9(10)11/h4-5H,2-3,6-8H2,1H3,(H,10,11).
What are the key properties of non-5-enoic acid?
non-5-enoic acid has a molecular weight of 156.22 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for non-5-enoic acid is sourced from PubChem (CID 53431349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).