decanoic acid;propanoic acid

C16H32O6 — CID 87792095

IUPACdecanoic acid;propanoic acid
SMILESCCC(=O)O.CCC(=O)O.CCCCCCCCCC(=O)O
InChIInChI=1S/C10H20O2.2C3H6O2/c1-2-3-4-5-6-7-8-9-10(11)12;2*1-2-3(4)5/h2-9H2,1H3,(H,11,12);2*2H2,1H3,(H,4,5)
InChIKeyQKQSCEVJVTURDI-UHFFFAOYSA-N
MW320.43 g/mol
LogP4.17
Rot. Bonds10

About decanoic acid;propanoic acid

decanoic acid;propanoic acid (PubChem CID 87792095) has the molecular formula C16H32O6 and a molecular weight of 320.43 g/mol. Its IUPAC name is decanoic acid;propanoic acid.

Molecular Properties

Compound Namedecanoic acid;propanoic acid
PubChem CID87792095
Molecular FormulaC16H32O6
Molecular Weight320.43 g/mol
Exact Mass320.22
IUPAC Namedecanoic acid;propanoic acid
SMILESCCC(=O)O.CCC(=O)O.CCCCCCCCCC(=O)O
InChIInChI=1S/C10H20O2.2C3H6O2/c1-2-3-4-5-6-7-8-9-10(11)12;2*1-2-3(4)5/h2-9H2,1H3,(H,11,12);2*2H2,1H3,(H,4,5)
InChIKeyQKQSCEVJVTURDI-UHFFFAOYSA-N
XLogP4.17
TPSA111.90 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 54.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

octanoic acid;propanoic acid;ruthenium
CID 173427049
(1,3,5,7,9-13C5)hexadecanoic acid
CID 71309479
docosanoic acid;bis(tetracosanoic acid)
CID 161141504
hexatriacontanoic acid
CID 87094359
tetradecanoic acid
CID 88995416
bis(decanoic acid);bis(octanoic acid)
CID 160578094
decanoic acid;bis(nonanoic acid)
CID 159376136
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

Frequently Asked Questions

What is the IUPAC name of decanoic acid;propanoic acid?
The IUPAC name of decanoic acid;propanoic acid (CID 87792095) is decanoic acid;propanoic acid.
What is the SMILES notation for decanoic acid;propanoic acid?
The canonical SMILES for decanoic acid;propanoic acid is CCC(=O)O.CCC(=O)O.CCCCCCCCCC(=O)O.
What is the InChIKey of decanoic acid;propanoic acid?
The InChIKey is QKQSCEVJVTURDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2.2C3H6O2/c1-2-3-4-5-6-7-8-9-10(11)12;2*1-2-3(4)5/h2-9H2,1H3,(H,11,12);2*2H2,1H3,(H,4,5).
What are the key properties of decanoic acid;propanoic acid?
decanoic acid;propanoic acid has a molecular weight of 320.43 g/mol, XLogP of 4.17, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for decanoic acid;propanoic acid is sourced from PubChem (CID 87792095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).