nonanoic acid

C9H18O2 — CID 8158

IUPACnonanoic acid
SMILESCCCCCCCCC(=O)O
InChIInChI=1S/C9H18O2/c1-2-3-4-5-6-7-8-9(10)11/h2-8H2,1H3,(H,10,11)
InChIKeyFBUKVWPVBMHYJY-UHFFFAOYSA-N
MW158.24 g/mol
LogP2.82
Rot. Bonds7

About nonanoic acid

nonanoic acid (PubChem CID 8158) has the molecular formula C9H18O2 and a molecular weight of 158.24 g/mol. Its IUPAC name is nonanoic acid.

Molecular Properties

Compound Namenonanoic acid
PubChem CID8158
Molecular FormulaC9H18O2
Molecular Weight158.24 g/mol
Exact Mass158.13
IUPAC Namenonanoic acid
SMILESCCCCCCCCC(=O)O
InChIInChI=1S/C9H18O2/c1-2-3-4-5-6-7-8-9(10)11/h2-8H2,1H3,(H,10,11)
InChIKeyFBUKVWPVBMHYJY-UHFFFAOYSA-N
XLogP2.82
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 52.82
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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Related Compounds

Octanoic Acid
CID 379
Decanoic Acid
CID 2969
Lauric Acid
CID 3893
Palmitic Acid
CID 985
Azelaic Acid
CID 2266
Stearic Acid
CID 5281
Heptanoic Acid
CID 8094
Myristic Acid
CID 11005
Sebacic Acid
CID 5192
Undecanoic Acid
CID 8180
Docosanoic Acid
CID 8215
Dodecanedioic Acid
CID 12736

Frequently Asked Questions

What is the IUPAC name of nonanoic acid?
The IUPAC name of nonanoic acid (CID 8158) is nonanoic acid.
What is the SMILES notation for nonanoic acid?
The canonical SMILES for nonanoic acid is CCCCCCCCC(=O)O.
What is the InChIKey of nonanoic acid?
The InChIKey is FBUKVWPVBMHYJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O2/c1-2-3-4-5-6-7-8-9(10)11/h2-8H2,1H3,(H,10,11).
What are the key properties of nonanoic acid?
nonanoic acid has a molecular weight of 158.24 g/mol, XLogP of 2.82, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for nonanoic acid is sourced from PubChem (CID 8158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).