pentacosanoic acid

C25H50O2 — CID 10468

IUPACpentacosanoic acid
SMILESCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O
InChIInChI=1S/C25H50O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25(26)27/h2-24H2,1H3,(H,26,27)
InChIKeyMWMPEAHGUXCSMY-UHFFFAOYSA-N
MW382.67 g/mol
LogP9.06
Rot. Bonds23

About pentacosanoic acid

pentacosanoic acid (PubChem CID 10468) has the molecular formula C25H50O2 and a molecular weight of 382.67 g/mol. Its IUPAC name is pentacosanoic acid.

Molecular Properties

Compound Namepentacosanoic acid
PubChem CID10468
Molecular FormulaC25H50O2
Molecular Weight382.67 g/mol
Exact Mass382.38
IUPAC Namepentacosanoic acid
SMILESCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O
InChIInChI=1S/C25H50O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25(26)27/h2-24H2,1H3,(H,26,27)
InChIKeyMWMPEAHGUXCSMY-UHFFFAOYSA-N
XLogP9.06
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds23
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.67
LogP ≤ 59.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 pentacosanoic acid?
The IUPAC name of pentacosanoic acid (CID 10468) is pentacosanoic acid.
What is the SMILES notation for pentacosanoic acid?
The canonical SMILES for pentacosanoic acid is CCCCCCCCCCCCCCCCCCCCCCCCC(=O)O.
What is the InChIKey of pentacosanoic acid?
The InChIKey is MWMPEAHGUXCSMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H50O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25(26)27/h2-24H2,1H3,(H,26,27).
What are the key properties of pentacosanoic acid?
pentacosanoic acid has a molecular weight of 382.67 g/mol, XLogP of 9.06, 23 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for pentacosanoic acid is sourced from PubChem (CID 10468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).