14-iodotetradec-7-enoic acid

C14H25IO2 — CID 54286068

IUPAC14-iodotetradec-7-enoic acid
SMILESO=C(O)CCCCCC=CCCCCCCI
InChIInChI=1S/C14H25IO2/c15-13-11-9-7-5-3-1-2-4-6-8-10-12-14(16)17/h1-2H,3-13H2,(H,16,17)
InChIKeyRUEPZSACMOVGLJ-UHFFFAOYSA-N
MW352.26 g/mol
LogP4.96
Rot. Bonds12

About 14-iodotetradec-7-enoic acid

14-iodotetradec-7-enoic acid (PubChem CID 54286068) has the molecular formula C14H25IO2 and a molecular weight of 352.26 g/mol. Its IUPAC name is 14-iodotetradec-7-enoic acid.

Molecular Properties

Compound Name14-iodotetradec-7-enoic acid
PubChem CID54286068
Molecular FormulaC14H25IO2
Molecular Weight352.26 g/mol
Exact Mass352.09
IUPAC Name14-iodotetradec-7-enoic acid
SMILESO=C(O)CCCCCC=CCCCCCCI
InChIInChI=1S/C14H25IO2/c15-13-11-9-7-5-3-1-2-4-6-8-10-12-14(16)17/h1-2H,3-13H2,(H,16,17)
InChIKeyRUEPZSACMOVGLJ-UHFFFAOYSA-N
XLogP4.96
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.26
LogP ≤ 54.96
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(E)-13-iodotridec-10-enoic acid
CID 175218567
(9Z,30Z)-nonatriaconta-9,30-dienedioic acid
CID 151731001
(9Z,33Z)-dotetraconta-9,33-dienedioic acid
CID 87211353
nonatriaconta-9,30-dienedioic acid
CID 151730999
tetradec-6-enedioic acid
CID 151545129
(Z)-dodec-5-enedioic acid
CID 86751837
29-iodononacosanoic acid
CID 87686347
6-iodohexanoic acid
CID 12827948
30-iodotriacontanoic acid
CID 87685904
25-iodopentacosanoic acid
CID 87683779
(E)-octadec-4-enedioic acid
CID 166071490
(E)-pentadec-4-enedioic acid
CID 156873655

Frequently Asked Questions

What is the IUPAC name of 14-iodotetradec-7-enoic acid?
The IUPAC name of 14-iodotetradec-7-enoic acid (CID 54286068) is 14-iodotetradec-7-enoic acid.
What is the SMILES notation for 14-iodotetradec-7-enoic acid?
The canonical SMILES for 14-iodotetradec-7-enoic acid is O=C(O)CCCCCC=CCCCCCCI.
What is the InChIKey of 14-iodotetradec-7-enoic acid?
The InChIKey is RUEPZSACMOVGLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25IO2/c15-13-11-9-7-5-3-1-2-4-6-8-10-12-14(16)17/h1-2H,3-13H2,(H,16,17).
What are the key properties of 14-iodotetradec-7-enoic acid?
14-iodotetradec-7-enoic acid has a molecular weight of 352.26 g/mol, XLogP of 4.96, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 14-iodotetradec-7-enoic acid is sourced from PubChem (CID 54286068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).