(E)-13-iodotridec-10-enoic acid

C13H23IO2 — CID 175218567

IUPAC(E)-13-iodotridec-10-enoic acid
SMILESO=C(O)CCCCCCCC/C=C/CCI
InChIInChI=1S/C13H23IO2/c14-12-10-8-6-4-2-1-3-5-7-9-11-13(15)16/h6,8H,1-5,7,9-12H2,(H,15,16)/b8-6+
InChIKeyKCWFBAUYXJIHLC-SOFGYWHQSA-N
MW338.23 g/mol
LogP4.57
Rot. Bonds11

About (E)-13-iodotridec-10-enoic acid

(E)-13-iodotridec-10-enoic acid (PubChem CID 175218567) has the molecular formula C13H23IO2 and a molecular weight of 338.23 g/mol. Its IUPAC name is (E)-13-iodotridec-10-enoic acid.

Molecular Properties

Compound Name(E)-13-iodotridec-10-enoic acid
PubChem CID175218567
Molecular FormulaC13H23IO2
Molecular Weight338.23 g/mol
Exact Mass338.07
IUPAC Name(E)-13-iodotridec-10-enoic acid
SMILESO=C(O)CCCCCCCC/C=C/CCI
InChIInChI=1S/C13H23IO2/c14-12-10-8-6-4-2-1-3-5-7-9-11-13(15)16/h6,8H,1-5,7,9-12H2,(H,15,16)/b8-6+
InChIKeyKCWFBAUYXJIHLC-SOFGYWHQSA-N
XLogP4.57
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.23
LogP ≤ 54.57
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

14-iodotetradec-7-enoic acid
CID 54286068
(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
(E)-octadec-4-enedioic acid
CID 166071490
(E)-pentadec-4-enedioic acid
CID 156873655
(9Z,12Z)-henicosa-9,12-dienedioic acid
CID 88967017
CID 87060061
CID 87060061
15-hydroxypentadec-10-enoic acid
CID 165358734
(Z)-32-hydroxydotriacont-23-enoic acid
CID 13377993

Frequently Asked Questions

What is the IUPAC name of (E)-13-iodotridec-10-enoic acid?
The IUPAC name of (E)-13-iodotridec-10-enoic acid (CID 175218567) is (E)-13-iodotridec-10-enoic acid.
What is the SMILES notation for (E)-13-iodotridec-10-enoic acid?
The canonical SMILES for (E)-13-iodotridec-10-enoic acid is O=C(O)CCCCCCCC/C=C/CCI.
What is the InChIKey of (E)-13-iodotridec-10-enoic acid?
The InChIKey is KCWFBAUYXJIHLC-SOFGYWHQSA-N. The full InChI is InChI=1S/C13H23IO2/c14-12-10-8-6-4-2-1-3-5-7-9-11-13(15)16/h6,8H,1-5,7,9-12H2,(H,15,16)/b8-6+.
What are the key properties of (E)-13-iodotridec-10-enoic acid?
(E)-13-iodotridec-10-enoic acid has a molecular weight of 338.23 g/mol, XLogP of 4.57, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-13-iodotridec-10-enoic acid is sourced from PubChem (CID 175218567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).