methyl (5Z,8E)-9-iodonona-5,8-dienoate

C10H15IO2 — CID 14464864

IUPACmethyl (5Z,8E)-9-iodonona-5,8-dienoate
SMILESCOC(=O)CCC/C=C\C/C=C/I
InChIInChI=1S/C10H15IO2/c1-13-10(12)8-6-4-2-3-5-7-9-11/h2-3,7,9H,4-6,8H2,1H3/b3-2-,9-7+
InChIKeyZTZCYDZTNOFGPE-ZISRPPKGSA-N
MW294.13 g/mol
LogP3.22
Rot. Bonds6

About methyl (5Z,8E)-9-iodonona-5,8-dienoate

methyl (5Z,8E)-9-iodonona-5,8-dienoate (PubChem CID 14464864) has the molecular formula C10H15IO2 and a molecular weight of 294.13 g/mol. Its IUPAC name is methyl (5Z,8E)-9-iodonona-5,8-dienoate.

Molecular Properties

Compound Namemethyl (5Z,8E)-9-iodonona-5,8-dienoate
PubChem CID14464864
Molecular FormulaC10H15IO2
Molecular Weight294.13 g/mol
Exact Mass294.01
IUPAC Namemethyl (5Z,8E)-9-iodonona-5,8-dienoate
SMILESCOC(=O)CCC/C=C\C/C=C/I
InChIInChI=1S/C10H15IO2/c1-13-10(12)8-6-4-2-3-5-7-9-11/h2-3,7,9H,4-6,8H2,1H3/b3-2-,9-7+
InChIKeyZTZCYDZTNOFGPE-ZISRPPKGSA-N
XLogP3.22
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.13
LogP ≤ 53.22
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze methyl (5Z,8E)-9-iodonona-5,8-dienoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl (5Z,8Z,11Z,14Z)-16-bromohexadeca-5,8,11,14-tetraenoate
CID 143217033
(5Z,8Z,11Z,14Z)-19-methoxy-19-oxononadeca-5,8,11,14-tetraenoic acid
CID 172653541
methyl (5E,8E)-undeca-5,8-dienoate
CID 102118348
methyl (5Z,8Z,11Z)-15-hydroxypentadeca-5,8,11-trienoate
CID 122579422
methyl (5Z)-icosa-5,8,11,14-tetraenoate
CID 141409710
methyl (E)-11-iodoundec-10-enoate
CID 12653836
methyl (E)-19-iodononadec-18-enoate
CID 13463205
methyl (5Z,8Z,11Z,14Z)-20-fluoroicosa-5,8,11,14-tetraenoate
CID 10449696
methyl dodeca-6,9-dienoate
CID 123311078
methyl (6Z,9Z,12Z)-15-hydroxypentadeca-6,9,12-trienoate
CID 66558829
methyl icosa-8,11,14-trienoate
CID 519411
methyl (13Z,16E,19E)-docosa-13,16,19-trienoate
CID 53249236

Frequently Asked Questions

What is the IUPAC name of methyl (5Z,8E)-9-iodonona-5,8-dienoate?
The IUPAC name of methyl (5Z,8E)-9-iodonona-5,8-dienoate (CID 14464864) is methyl (5Z,8E)-9-iodonona-5,8-dienoate.
What is the SMILES notation for methyl (5Z,8E)-9-iodonona-5,8-dienoate?
The canonical SMILES for methyl (5Z,8E)-9-iodonona-5,8-dienoate is COC(=O)CCC/C=C\C/C=C/I.
What is the InChIKey of methyl (5Z,8E)-9-iodonona-5,8-dienoate?
The InChIKey is ZTZCYDZTNOFGPE-ZISRPPKGSA-N. The full InChI is InChI=1S/C10H15IO2/c1-13-10(12)8-6-4-2-3-5-7-9-11/h2-3,7,9H,4-6,8H2,1H3/b3-2-,9-7+.
What are the key properties of methyl (5Z,8E)-9-iodonona-5,8-dienoate?
methyl (5Z,8E)-9-iodonona-5,8-dienoate has a molecular weight of 294.13 g/mol, XLogP of 3.22, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (5Z,8E)-9-iodonona-5,8-dienoate is sourced from PubChem (CID 14464864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).