6-iodohexanoic acid

C6H11IO2 — CID 12827948

IUPAC6-iodohexanoic acid
SMILESO=C(O)CCCCCI
InChIInChI=1S/C6H11IO2/c7-5-3-1-2-4-6(8)9/h1-5H2,(H,8,9)
InChIKeySTHOLCAXALUYCX-UHFFFAOYSA-N
MW242.06 g/mol
LogP2.07
Rot. Bonds5

About 6-iodohexanoic acid

6-iodohexanoic acid (PubChem CID 12827948) has the molecular formula C6H11IO2 and a molecular weight of 242.06 g/mol. Its IUPAC name is 6-iodohexanoic acid.

Molecular Properties

Compound Name6-iodohexanoic acid
PubChem CID12827948
Molecular FormulaC6H11IO2
Molecular Weight242.06 g/mol
Exact Mass241.98
IUPAC Name6-iodohexanoic acid
SMILESO=C(O)CCCCCI
InChIInChI=1S/C6H11IO2/c7-5-3-1-2-4-6(8)9/h1-5H2,(H,8,9)
InChIKeySTHOLCAXALUYCX-UHFFFAOYSA-N
XLogP2.07
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.06
LogP ≤ 52.07
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
30-iodotriacontanoic acid
CID 87685904
25-iodopentacosanoic acid
CID 87683779
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 6-iodohexanoic acid?
The IUPAC name of 6-iodohexanoic acid (CID 12827948) is 6-iodohexanoic acid.
What is the SMILES notation for 6-iodohexanoic acid?
The canonical SMILES for 6-iodohexanoic acid is O=C(O)CCCCCI.
What is the InChIKey of 6-iodohexanoic acid?
The InChIKey is STHOLCAXALUYCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11IO2/c7-5-3-1-2-4-6(8)9/h1-5H2,(H,8,9).
What are the key properties of 6-iodohexanoic acid?
6-iodohexanoic acid has a molecular weight of 242.06 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-iodohexanoic acid is sourced from PubChem (CID 12827948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).