decanoic acid;pentadecanoic acid

C25H50O4 — CID 157343657

IUPACdecanoic acid;pentadecanoic acid
SMILESCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCC(=O)O
InChIInChI=1S/C15H30O2.C10H20O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17;1-2-3-4-5-6-7-8-9-10(11)12/h2-14H2,1H3,(H,16,17);2-9H2,1H3,(H,11,12)
InChIKeyBGRTXDZXIHPVQC-UHFFFAOYSA-N
MW414.67 g/mol
LogP8.37
Rot. Bonds21

About decanoic acid;pentadecanoic acid

decanoic acid;pentadecanoic acid (PubChem CID 157343657) has the molecular formula C25H50O4 and a molecular weight of 414.67 g/mol. Its IUPAC name is decanoic acid;pentadecanoic acid.

Molecular Properties

Compound Namedecanoic acid;pentadecanoic acid
PubChem CID157343657
Molecular FormulaC25H50O4
Molecular Weight414.67 g/mol
Exact Mass414.37
IUPAC Namedecanoic acid;pentadecanoic acid
SMILESCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCC(=O)O
InChIInChI=1S/C15H30O2.C10H20O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17;1-2-3-4-5-6-7-8-9-10(11)12/h2-14H2,1H3,(H,16,17);2-9H2,1H3,(H,11,12)
InChIKeyBGRTXDZXIHPVQC-UHFFFAOYSA-N
XLogP8.37
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds21
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.67
LogP ≤ 58.37
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;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;pentadecanoic acid?
The IUPAC name of decanoic acid;pentadecanoic acid (CID 157343657) is decanoic acid;pentadecanoic acid.
What is the SMILES notation for decanoic acid;pentadecanoic acid?
The canonical SMILES for decanoic acid;pentadecanoic acid is CCCCCCCCCC(=O)O.CCCCCCCCCCCCCCC(=O)O.
What is the InChIKey of decanoic acid;pentadecanoic acid?
The InChIKey is BGRTXDZXIHPVQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O2.C10H20O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17;1-2-3-4-5-6-7-8-9-10(11)12/h2-14H2,1H3,(H,16,17);2-9H2,1H3,(H,11,12).
What are the key properties of decanoic acid;pentadecanoic acid?
decanoic acid;pentadecanoic acid has a molecular weight of 414.67 g/mol, XLogP of 8.37, 21 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for decanoic acid;pentadecanoic acid is sourced from PubChem (CID 157343657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).