2-hydroxy-2-iodoheptanoic acid

C7H13IO3 — CID 121471870

IUPAC2-hydroxy-2-iodoheptanoic acid
SMILESCCCCCC(O)(I)C(=O)O
InChIInChI=1S/C7H13IO3/c1-2-3-4-5-7(8,11)6(9)10/h11H,2-5H2,1H3,(H,9,10)
InChIKeyGXQQINIXHMAXPN-UHFFFAOYSA-N
MW272.08 g/mol
LogP1.77
Rot. Bonds5

About 2-hydroxy-2-iodoheptanoic acid

2-hydroxy-2-iodoheptanoic acid (PubChem CID 121471870) has the molecular formula C7H13IO3 and a molecular weight of 272.08 g/mol. Its IUPAC name is 2-hydroxy-2-iodoheptanoic acid.

Molecular Properties

Compound Name2-hydroxy-2-iodoheptanoic acid
PubChem CID121471870
Molecular FormulaC7H13IO3
Molecular Weight272.08 g/mol
Exact Mass271.99
IUPAC Name2-hydroxy-2-iodoheptanoic acid
SMILESCCCCCC(O)(I)C(=O)O
InChIInChI=1S/C7H13IO3/c1-2-3-4-5-7(8,11)6(9)10/h11H,2-5H2,1H3,(H,9,10)
InChIKeyGXQQINIXHMAXPN-UHFFFAOYSA-N
XLogP1.77
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.08
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

2-hydroxy-2-iodopentanoic acid
CID 23071156
2-hydroxy-2-methylheptadecanoic acid
CID 19591844
2-hydroxy-2-pentylheptanoic acid
CID 18462857
(2R)-2-hydroxy-2-methyloctadecanoic acid
CID 172684339
2-heptyl-2-methylpropanedioic acid
CID 89147986
(2R)-2-dodecyl-2-hydroxytricosanoic acid
CID 163058779
2-hydroxy-2-pentyloctanoic acid
CID 18462834
2,3-dihexyl-2,3-dihydroxybutanedioic acid
CID 18506288
2,3-dihydroxy-2,3-dioctadecylbutanedioic acid
CID 87193003
2,2-dihydroxyoctadecanoic acid;zinc
CID 159899986
2,2-difluoroheptanoic acid
CID 14928309
2,9-dihexyl-2,9-dioctyldecanedioic acid
CID 172763339

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-iodoheptanoic acid?
The IUPAC name of 2-hydroxy-2-iodoheptanoic acid (CID 121471870) is 2-hydroxy-2-iodoheptanoic acid.
What is the SMILES notation for 2-hydroxy-2-iodoheptanoic acid?
The canonical SMILES for 2-hydroxy-2-iodoheptanoic acid is CCCCCC(O)(I)C(=O)O.
What is the InChIKey of 2-hydroxy-2-iodoheptanoic acid?
The InChIKey is GXQQINIXHMAXPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13IO3/c1-2-3-4-5-7(8,11)6(9)10/h11H,2-5H2,1H3,(H,9,10).
What are the key properties of 2-hydroxy-2-iodoheptanoic acid?
2-hydroxy-2-iodoheptanoic acid has a molecular weight of 272.08 g/mol, XLogP of 1.77, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-iodoheptanoic acid is sourced from PubChem (CID 121471870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).