decanoic acid;tetradecanoic acid

C24H48O4 — CID 87611521

IUPACdecanoic acid;tetradecanoic acid
SMILESCCCCCCCCCC(=O)O.CCCCCCCCCCCCCC(=O)O
InChIInChI=1S/C14H28O2.C10H20O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16;1-2-3-4-5-6-7-8-9-10(11)12/h2-13H2,1H3,(H,15,16);2-9H2,1H3,(H,11,12)
InChIKeyNYVNRFYXFHTPAP-UHFFFAOYSA-N
MW400.64 g/mol
LogP7.98
Rot. Bonds20

About decanoic acid;tetradecanoic acid

decanoic acid;tetradecanoic acid (PubChem CID 87611521) has the molecular formula C24H48O4 and a molecular weight of 400.64 g/mol. Its IUPAC name is decanoic acid;tetradecanoic acid.

Molecular Properties

Compound Namedecanoic acid;tetradecanoic acid
PubChem CID87611521
Molecular FormulaC24H48O4
Molecular Weight400.64 g/mol
Exact Mass400.36
IUPAC Namedecanoic acid;tetradecanoic acid
SMILESCCCCCCCCCC(=O)O.CCCCCCCCCCCCCC(=O)O
InChIInChI=1S/C14H28O2.C10H20O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16;1-2-3-4-5-6-7-8-9-10(11)12/h2-13H2,1H3,(H,15,16);2-9H2,1H3,(H,11,12)
InChIKeyNYVNRFYXFHTPAP-UHFFFAOYSA-N
XLogP7.98
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds20
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.64
LogP ≤ 57.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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;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
CID 131882435
CID 131882435

Frequently Asked Questions

What is the IUPAC name of decanoic acid;tetradecanoic acid?
The IUPAC name of decanoic acid;tetradecanoic acid (CID 87611521) is decanoic acid;tetradecanoic acid.
What is the SMILES notation for decanoic acid;tetradecanoic acid?
The canonical SMILES for decanoic acid;tetradecanoic acid is CCCCCCCCCC(=O)O.CCCCCCCCCCCCCC(=O)O.
What is the InChIKey of decanoic acid;tetradecanoic acid?
The InChIKey is NYVNRFYXFHTPAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O2.C10H20O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16;1-2-3-4-5-6-7-8-9-10(11)12/h2-13H2,1H3,(H,15,16);2-9H2,1H3,(H,11,12).
What are the key properties of decanoic acid;tetradecanoic acid?
decanoic acid;tetradecanoic acid has a molecular weight of 400.64 g/mol, XLogP of 7.98, 20 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for decanoic acid;tetradecanoic acid is sourced from PubChem (CID 87611521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).