6,20-diiodoicosa-5,7-diene

C20H36I2 — CID 175397457

IUPAC6,20-diiodoicosa-5,7-diene
SMILESCCCCC=C(I)C=CCCCCCCCCCCCCI
InChIInChI=1S/C20H36I2/c1-2-3-14-17-20(22)18-15-12-10-8-6-4-5-7-9-11-13-16-19-21/h15,17-18H,2-14,16,19H2,1H3
InChIKeyMOLQFDNYQWYODN-UHFFFAOYSA-N
MW530.32 g/mol
LogP8.78
Rot. Bonds16

About 6,20-diiodoicosa-5,7-diene

6,20-diiodoicosa-5,7-diene (PubChem CID 175397457) has the molecular formula C20H36I2 and a molecular weight of 530.32 g/mol. Its IUPAC name is 6,20-diiodoicosa-5,7-diene.

Molecular Properties

Compound Name6,20-diiodoicosa-5,7-diene
PubChem CID175397457
Molecular FormulaC20H36I2
Molecular Weight530.32 g/mol
Exact Mass530.09
IUPAC Name6,20-diiodoicosa-5,7-diene
SMILESCCCCC=C(I)C=CCCCCCCCCCCCCI
InChIInChI=1S/C20H36I2/c1-2-3-14-17-20(22)18-15-12-10-8-6-4-5-7-9-11-13-16-19-21/h15,17-18H,2-14,16,19H2,1H3
InChIKeyMOLQFDNYQWYODN-UHFFFAOYSA-N
XLogP8.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds16
Heavy Atoms22
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.32
LogP ≤ 58.78
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': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(5Z,7E)-16-iodohexadeca-5,7-diene
CID 146189479
15-iodopentadeca-5,7-diene
CID 151726430
(5E,7E)-13-iodotrideca-5,7-diene
CID 146189527
1-iodooctadec-9-ene
CID 54335448
(E)-1-iodoheptadec-8-ene
CID 118861241
1,1-diiodonon-1-ene
CID 141002826
18-iodooctadeca-6,9-diene
CID 54451321
(9E,11E,12E,13E)-11,12-di(nonylidene)docosa-9,13-diene
CID 140635573
(7Z,9E)-8-bromoheptadeca-7,9-diene
CID 134932125
(9E,11E)-10-[(Z)-hex-1-enyl]tetracosa-9,11-dienal
CID 140786864
docos-5-ene
CID 54227700
nonadec-5-ene
CID 543596

Frequently Asked Questions

What is the IUPAC name of 6,20-diiodoicosa-5,7-diene?
The IUPAC name of 6,20-diiodoicosa-5,7-diene (CID 175397457) is 6,20-diiodoicosa-5,7-diene.
What is the SMILES notation for 6,20-diiodoicosa-5,7-diene?
The canonical SMILES for 6,20-diiodoicosa-5,7-diene is CCCCC=C(I)C=CCCCCCCCCCCCCI.
What is the InChIKey of 6,20-diiodoicosa-5,7-diene?
The InChIKey is MOLQFDNYQWYODN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36I2/c1-2-3-14-17-20(22)18-15-12-10-8-6-4-5-7-9-11-13-16-19-21/h15,17-18H,2-14,16,19H2,1H3.
What are the key properties of 6,20-diiodoicosa-5,7-diene?
6,20-diiodoicosa-5,7-diene has a molecular weight of 530.32 g/mol, XLogP of 8.78, 16 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6,20-diiodoicosa-5,7-diene is sourced from PubChem (CID 175397457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).