decanoic acid

C160H320O32 — CID 173247116

IUPACdecanoic acid
SMILESCCCCCCCCCC(=O)O.CCCCCCCCCC(=O)O.CCCCCCCCCC(=O)O.CCCCCCCCCC(=O)O.CCCCCCCCCC(=O)O.CCCCCCCCCC(=O)O.CCCCCCCCCC(=O)O.CCCCCCCCCC(=O)O.CCCCCCCCCC(=O)O.CCCCCCCCCC(=O)O.CCCCCCCCCC(=O)O.CCCCCCCCCC(=O)O.CCCCCCCCCC(=O)O.CCCCCCCCCC(=O)O.CCCCCCCCCC(=O)O.CCCCCCCCCC(=O)O
InChIInChI=1S/16C10H20O2/c16*1-2-3-4-5-6-7-8-9-10(11)12/h16*2-9H2,1H3,(H,11,12)
InChIKeySYGDZFAPXZFXER-UHFFFAOYSA-N
MW2756.29 g/mol
LogP51.39
Rot. Bonds128

About decanoic acid

decanoic acid (PubChem CID 173247116) has the molecular formula C160H320O32 and a molecular weight of 2756.29 g/mol. Its IUPAC name is decanoic acid.

Molecular Properties

Compound Namedecanoic acid
PubChem CID173247116
Molecular FormulaC160H320O32
Molecular Weight2756.29 g/mol
Exact Mass2754.34
IUPAC Namedecanoic acid
SMILESCCCCCCCCCC(=O)O.CCCCCCCCCC(=O)O.CCCCCCCCCC(=O)O.CCCCCCCCCC(=O)O.CCCCCCCCCC(=O)O.CCCCCCCCCC(=O)O.CCCCCCCCCC(=O)O.CCCCCCCCCC(=O)O.CCCCCCCCCC(=O)O.CCCCCCCCCC(=O)O.CCCCCCCCCC(=O)O.CCCCCCCCCC(=O)O.CCCCCCCCCC(=O)O.CCCCCCCCCC(=O)O.CCCCCCCCCC(=O)O.CCCCCCCCCC(=O)O
InChIInChI=1S/16C10H20O2/c16*1-2-3-4-5-6-7-8-9-10(11)12/h16*2-9H2,1H3,(H,11,12)
InChIKeySYGDZFAPXZFXER-UHFFFAOYSA-N
XLogP51.39
TPSA596.80 Ų
H-Bond Donors16
H-Bond Acceptors16
Rotatable Bonds128
Heavy Atoms192
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002756.29
LogP ≤ 551.39
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

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Related Compounds

bis(decanoic acid);bis(octanoic acid)
CID 160578094
decanoic acid;bis(nonanoic acid)
CID 159376136
henicosane;tetracontanoic acid
CID 175935348
henicosane;tricosanoic acid
CID 175935357
decanoic acid;tetradecanoic acid
CID 87611521
decanoic acid;dodecanoic acid;hexadecanoic acid;octanoic acid;tetradecanoic acid
CID 159524024
decanoic acid;bis(dodecanoic acid)
CID 88765096
bis(hexanedioic acid);bis(tridecane)
CID 173306988
decanedioic acid;nonane
CID 25154161
decanoic acid
CID 158633075
decanoic acid;hexanedioic acid
CID 87189912
dodecanoic acid
CID 158187269

Frequently Asked Questions

What is the IUPAC name of decanoic acid?
The IUPAC name of decanoic acid (CID 173247116) is decanoic acid.
What is the SMILES notation for decanoic acid?
The canonical SMILES for decanoic acid is CCCCCCCCCC(=O)O.CCCCCCCCCC(=O)O.CCCCCCCCCC(=O)O.CCCCCCCCCC(=O)O.CCCCCCCCCC(=O)O.CCCCCCCCCC(=O)O.CCCCCCCCCC(=O)O.CCCCCCCCCC(=O)O.CCCCCCCCCC(=O)O.CCCCCCCCCC(=O)O.CCCCCCCCCC(=O)O.CCCCCCCCCC(=O)O.CCCCCCCCCC(=O)O.CCCCCCCCCC(=O)O.CCCCCCCCCC(=O)O.CCCCCCCCCC(=O)O.
What is the InChIKey of decanoic acid?
The InChIKey is SYGDZFAPXZFXER-UHFFFAOYSA-N. The full InChI is InChI=1S/16C10H20O2/c16*1-2-3-4-5-6-7-8-9-10(11)12/h16*2-9H2,1H3,(H,11,12).
What are the key properties of decanoic acid?
decanoic acid has a molecular weight of 2756.29 g/mol, XLogP of 51.39, 128 rotatable bonds, 16 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for decanoic acid is sourced from PubChem (CID 173247116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).