ethyl (E)-11-iodoundec-10-enoate

C13H23IO2 — CID 100951018

IUPACethyl (E)-11-iodoundec-10-enoate
SMILESCCOC(=O)CCCCCCCC/C=C/I
InChIInChI=1S/C13H23IO2/c1-2-16-13(15)11-9-7-5-3-4-6-8-10-12-14/h10,12H,2-9,11H2,1H3/b12-10+
InChIKeyFXNGMJIYGQXCED-ZRDIBKRKSA-N
MW338.23 g/mol
LogP4.62
Rot. Bonds10

About ethyl (E)-11-iodoundec-10-enoate

ethyl (E)-11-iodoundec-10-enoate (PubChem CID 100951018) has the molecular formula C13H23IO2 and a molecular weight of 338.23 g/mol. Its IUPAC name is ethyl (E)-11-iodoundec-10-enoate.

Molecular Properties

Compound Nameethyl (E)-11-iodoundec-10-enoate
PubChem CID100951018
Molecular FormulaC13H23IO2
Molecular Weight338.23 g/mol
Exact Mass338.07
IUPAC Nameethyl (E)-11-iodoundec-10-enoate
SMILESCCOC(=O)CCCCCCCC/C=C/I
InChIInChI=1S/C13H23IO2/c1-2-16-13(15)11-9-7-5-3-4-6-8-10-12-14/h10,12H,2-9,11H2,1H3/b12-10+
InChIKeyFXNGMJIYGQXCED-ZRDIBKRKSA-N
XLogP4.62
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.23
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

ethyl (Z)-icos-9-enoate
CID 72941815
ethyl octadec-8-enoate
CID 71350628
CID 175771564
CID 175771564
ethyl octadeca-9,11-dienoate
CID 71333061
diethyl icosanedioate
CID 5058538
methyl (E)-19-iodononadec-18-enoate
CID 13463205
methyl (E)-11-iodoundec-10-enoate
CID 12653836
ethyl (11Z)-icosa-11,14-dienoate
CID 77134635
ethyl (E)-9,9-dimethyldec-7-enoate
CID 102355070
ethyl 18-octadecanoyloxyoctadec-9-enoate
CID 85380657
ethyl octadec-9-enoate;octadec-9-enoic acid
CID 173380169
ethyl (Z)-octadec-9-enoate;(Z)-octadec-9-enoic acid
CID 135354246

Frequently Asked Questions

What is the IUPAC name of ethyl (E)-11-iodoundec-10-enoate?
The IUPAC name of ethyl (E)-11-iodoundec-10-enoate (CID 100951018) is ethyl (E)-11-iodoundec-10-enoate.
What is the SMILES notation for ethyl (E)-11-iodoundec-10-enoate?
The canonical SMILES for ethyl (E)-11-iodoundec-10-enoate is CCOC(=O)CCCCCCCC/C=C/I.
What is the InChIKey of ethyl (E)-11-iodoundec-10-enoate?
The InChIKey is FXNGMJIYGQXCED-ZRDIBKRKSA-N. The full InChI is InChI=1S/C13H23IO2/c1-2-16-13(15)11-9-7-5-3-4-6-8-10-12-14/h10,12H,2-9,11H2,1H3/b12-10+.
What are the key properties of ethyl (E)-11-iodoundec-10-enoate?
ethyl (E)-11-iodoundec-10-enoate has a molecular weight of 338.23 g/mol, XLogP of 4.62, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-11-iodoundec-10-enoate is sourced from PubChem (CID 100951018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).