pentakis(decanoic acid);tetradecanoic acid

C64H128O12 — CID 173200297

IUPACpentakis(decanoic acid);tetradecanoic acid
SMILESCCCCCCCCCC(=O)O.CCCCCCCCCC(=O)O.CCCCCCCCCC(=O)O.CCCCCCCCCC(=O)O.CCCCCCCCCC(=O)O.CCCCCCCCCCCCCC(=O)O
InChIInChI=1S/C14H28O2.5C10H20O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16;5*1-2-3-4-5-6-7-8-9-10(11)12/h2-13H2,1H3,(H,15,16);5*2-9H2,1H3,(H,11,12)
InChIKeyRKKXXJOTTDICRE-UHFFFAOYSA-N
MW1089.72 g/mol
LogP20.83
Rot. Bonds52

About pentakis(decanoic acid);tetradecanoic acid

pentakis(decanoic acid);tetradecanoic acid (PubChem CID 173200297) has the molecular formula C64H128O12 and a molecular weight of 1089.72 g/mol. Its IUPAC name is pentakis(decanoic acid);tetradecanoic acid.

Molecular Properties

Compound Namepentakis(decanoic acid);tetradecanoic acid
PubChem CID173200297
Molecular FormulaC64H128O12
Molecular Weight1089.72 g/mol
Exact Mass1088.94
IUPAC Namepentakis(decanoic acid);tetradecanoic acid
SMILESCCCCCCCCCC(=O)O.CCCCCCCCCC(=O)O.CCCCCCCCCC(=O)O.CCCCCCCCCC(=O)O.CCCCCCCCCC(=O)O.CCCCCCCCCCCCCC(=O)O
InChIInChI=1S/C14H28O2.5C10H20O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16;5*1-2-3-4-5-6-7-8-9-10(11)12/h2-13H2,1H3,(H,15,16);5*2-9H2,1H3,(H,11,12)
InChIKeyRKKXXJOTTDICRE-UHFFFAOYSA-N
XLogP20.83
TPSA223.80 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds52
Heavy Atoms76
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001089.72
LogP ≤ 520.83
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

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 pentakis(decanoic acid);tetradecanoic acid?
The IUPAC name of pentakis(decanoic acid);tetradecanoic acid (CID 173200297) is pentakis(decanoic acid);tetradecanoic acid.
What is the SMILES notation for pentakis(decanoic acid);tetradecanoic acid?
The canonical SMILES for pentakis(decanoic acid);tetradecanoic acid is CCCCCCCCCC(=O)O.CCCCCCCCCC(=O)O.CCCCCCCCCC(=O)O.CCCCCCCCCC(=O)O.CCCCCCCCCC(=O)O.CCCCCCCCCCCCCC(=O)O.
What is the InChIKey of pentakis(decanoic acid);tetradecanoic acid?
The InChIKey is RKKXXJOTTDICRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O2.5C10H20O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16;5*1-2-3-4-5-6-7-8-9-10(11)12/h2-13H2,1H3,(H,15,16);5*2-9H2,1H3,(H,11,12).
What are the key properties of pentakis(decanoic acid);tetradecanoic acid?
pentakis(decanoic acid);tetradecanoic acid has a molecular weight of 1089.72 g/mol, XLogP of 20.83, 52 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for pentakis(decanoic acid);tetradecanoic acid is sourced from PubChem (CID 173200297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).