25-iodopentacosanoic acid

C25H49IO2 — CID 87683779

IUPAC25-iodopentacosanoic acid
SMILESO=C(O)CCCCCCCCCCCCCCCCCCCCCCCCI
InChIInChI=1S/C25H49IO2/c26-24-22-20-18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-19-21-23-25(27)28/h1-24H2,(H,27,28)
InChIKeyZBYCVQKOEPFKLQ-UHFFFAOYSA-N
MW508.57 g/mol
LogP9.48
Rot. Bonds24

About 25-iodopentacosanoic acid

25-iodopentacosanoic acid (PubChem CID 87683779) has the molecular formula C25H49IO2 and a molecular weight of 508.57 g/mol. Its IUPAC name is 25-iodopentacosanoic acid.

Molecular Properties

Compound Name25-iodopentacosanoic acid
PubChem CID87683779
Molecular FormulaC25H49IO2
Molecular Weight508.57 g/mol
Exact Mass508.28
IUPAC Name25-iodopentacosanoic acid
SMILESO=C(O)CCCCCCCCCCCCCCCCCCCCCCCCI
InChIInChI=1S/C25H49IO2/c26-24-22-20-18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-19-21-23-25(27)28/h1-24H2,(H,27,28)
InChIKeyZBYCVQKOEPFKLQ-UHFFFAOYSA-N
XLogP9.48
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds24
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.57
LogP ≤ 59.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

29-iodononacosanoic acid
CID 87686347
6-iodohexanoic acid
CID 12827948
30-iodotriacontanoic acid
CID 87685904
14-iodotetradec-7-enoic acid
CID 54286068
tridecanedioic acid;undecanedioic acid
CID 158333715
decanedioic acid;hexanedioic acid;octanedioic acid
CID 159110511
heptadecanedioic acid
CID 3083765
decanedioic acid;hexanedioic acid;nonanedioic acid;octanedioic acid
CID 159068248
tetradecanedioic acid
CID 13185
decanedioic acid;tris(nonanedioic acid)
CID 159759294
triacontanedioic acid
CID 5322010
dodecanedioic acid;bis(tridecanedioic acid)
CID 87373965

Frequently Asked Questions

What is the IUPAC name of 25-iodopentacosanoic acid?
The IUPAC name of 25-iodopentacosanoic acid (CID 87683779) is 25-iodopentacosanoic acid.
What is the SMILES notation for 25-iodopentacosanoic acid?
The canonical SMILES for 25-iodopentacosanoic acid is O=C(O)CCCCCCCCCCCCCCCCCCCCCCCCI.
What is the InChIKey of 25-iodopentacosanoic acid?
The InChIKey is ZBYCVQKOEPFKLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H49IO2/c26-24-22-20-18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-19-21-23-25(27)28/h1-24H2,(H,27,28).
What are the key properties of 25-iodopentacosanoic acid?
25-iodopentacosanoic acid has a molecular weight of 508.57 g/mol, XLogP of 9.48, 24 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 25-iodopentacosanoic acid is sourced from PubChem (CID 87683779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).