18-iodooctadeca-6,9-diene

C18H33I — CID 54451321

IUPAC18-iodooctadeca-6,9-diene
SMILESCCCCCC=CCC=CCCCCCCCCI
InChIInChI=1S/C18H33I/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h6-7,9-10H,2-5,8,11-18H2,1H3
InChIKeyWVENUEGAHHYRMA-UHFFFAOYSA-N
MW376.37 g/mol
LogP7.23
Rot. Bonds14

About 18-iodooctadeca-6,9-diene

18-iodooctadeca-6,9-diene (PubChem CID 54451321) has the molecular formula C18H33I and a molecular weight of 376.37 g/mol. Its IUPAC name is 18-iodooctadeca-6,9-diene.

Molecular Properties

Compound Name18-iodooctadeca-6,9-diene
PubChem CID54451321
Molecular FormulaC18H33I
Molecular Weight376.37 g/mol
Exact Mass376.16
IUPAC Name18-iodooctadeca-6,9-diene
SMILESCCCCCC=CCC=CCCCCCCCCI
InChIInChI=1S/C18H33I/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h6-7,9-10H,2-5,8,11-18H2,1H3
InChIKeyWVENUEGAHHYRMA-UHFFFAOYSA-N
XLogP7.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.37
LogP ≤ 57.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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

1-iodooctadec-9-ene
CID 54335448
(E)-1-iodoheptadec-8-ene
CID 118861241
(6Z,9Z)-pentacosa-6,9-diene
CID 56936115
(6Z,9Z)-nonadeca-6,9-diene
CID 14701065
hexatriaconta-6,9,12,24,27,30-hexaene
CID 54437867
(4Z,7Z)-hexadeca-4,7-diene
CID 140664011
heptadeca-5,8,11-triene
CID 54101473
(5E,8E)-tetradeca-5,8-diene
CID 13430684
(3Z,12Z,15Z)-tricosa-3,12,15-triene
CID 174109859
docosa-4,7,11-triene
CID 141035180
hexadeca-3,6,9-triene
CID 56627141
(3Z,6Z,9Z,12Z)-henicosa-3,6,9,12-tetraene
CID 158472719

Frequently Asked Questions

What is the IUPAC name of 18-iodooctadeca-6,9-diene?
The IUPAC name of 18-iodooctadeca-6,9-diene (CID 54451321) is 18-iodooctadeca-6,9-diene.
What is the SMILES notation for 18-iodooctadeca-6,9-diene?
The canonical SMILES for 18-iodooctadeca-6,9-diene is CCCCCC=CCC=CCCCCCCCCI.
What is the InChIKey of 18-iodooctadeca-6,9-diene?
The InChIKey is WVENUEGAHHYRMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33I/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h6-7,9-10H,2-5,8,11-18H2,1H3.
What are the key properties of 18-iodooctadeca-6,9-diene?
18-iodooctadeca-6,9-diene has a molecular weight of 376.37 g/mol, XLogP of 7.23, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 18-iodooctadeca-6,9-diene is sourced from PubChem (CID 54451321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).