2-iodotetradecanoic acid

C14H27IO2 — CID 536352

IUPAC2-iodotetradecanoic acid
SMILESCCCCCCCCCCCCC(I)C(=O)O
InChIInChI=1S/C14H27IO2/c1-2-3-4-5-6-7-8-9-10-11-12-13(15)14(16)17/h13H,2-12H2,1H3,(H,16,17)
InChIKeyYSHOYJQGMUAOFX-UHFFFAOYSA-N
MW354.27 g/mol
LogP5.19
Rot. Bonds12

About 2-iodotetradecanoic acid

2-iodotetradecanoic acid (PubChem CID 536352) has the molecular formula C14H27IO2 and a molecular weight of 354.27 g/mol. Its IUPAC name is 2-iodotetradecanoic acid.

Molecular Properties

Compound Name2-iodotetradecanoic acid
PubChem CID536352
Molecular FormulaC14H27IO2
Molecular Weight354.27 g/mol
Exact Mass354.11
IUPAC Name2-iodotetradecanoic acid
SMILESCCCCCCCCCCCCC(I)C(=O)O
InChIInChI=1S/C14H27IO2/c1-2-3-4-5-6-7-8-9-10-11-12-13(15)14(16)17/h13H,2-12H2,1H3,(H,16,17)
InChIKeyYSHOYJQGMUAOFX-UHFFFAOYSA-N
XLogP5.19
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.27
LogP ≤ 55.19
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

2-iodododecanamide
CID 57350654
magnesium;2-decylpropanedioic acid;hydride
CID 174968780
sodium 2-iodododecanoate
CID 141360253
sodium 2-iodononanoate
CID 141360284
potassium 2-iodononanoate
CID 141360310
2-iododecanoyl 2-iododecanoate
CID 171061308
2-nonacosylpropanedioic acid
CID 19851286
2-octylpropanedioic acid
CID 12972
2-icosylpropanedioic acid
CID 11582738
2-iodotetradecanedioic acid
CID 87580198
1-carboxyoctadecyl(triethyl)azanium
CID 87851358
2-dodecyloctacosanoic acid
CID 90897371

Frequently Asked Questions

What is the IUPAC name of 2-iodotetradecanoic acid?
The IUPAC name of 2-iodotetradecanoic acid (CID 536352) is 2-iodotetradecanoic acid.
What is the SMILES notation for 2-iodotetradecanoic acid?
The canonical SMILES for 2-iodotetradecanoic acid is CCCCCCCCCCCCC(I)C(=O)O.
What is the InChIKey of 2-iodotetradecanoic acid?
The InChIKey is YSHOYJQGMUAOFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27IO2/c1-2-3-4-5-6-7-8-9-10-11-12-13(15)14(16)17/h13H,2-12H2,1H3,(H,16,17).
What are the key properties of 2-iodotetradecanoic acid?
2-iodotetradecanoic acid has a molecular weight of 354.27 g/mol, XLogP of 5.19, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodotetradecanoic acid is sourced from PubChem (CID 536352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).