1-iodotetradeca-3,5-diene

C14H25I — CID 168861549

IUPAC1-iodotetradeca-3,5-diene
SMILESCCCCCCCCC=CC=CCCI
InChIInChI=1S/C14H25I/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h9-12H,2-8,13-14H2,1H3
InChIKeyKRADHBBQGXZLKL-UHFFFAOYSA-N
MW320.26 g/mol
LogP5.67
Rot. Bonds10

About 1-iodotetradeca-3,5-diene

1-iodotetradeca-3,5-diene (PubChem CID 168861549) has the molecular formula C14H25I and a molecular weight of 320.26 g/mol. Its IUPAC name is 1-iodotetradeca-3,5-diene.

Molecular Properties

Compound Name1-iodotetradeca-3,5-diene
PubChem CID168861549
Molecular FormulaC14H25I
Molecular Weight320.26 g/mol
Exact Mass320.10
IUPAC Name1-iodotetradeca-3,5-diene
SMILESCCCCCCCCC=CC=CCCI
InChIInChI=1S/C14H25I/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h9-12H,2-8,13-14H2,1H3
InChIKeyKRADHBBQGXZLKL-UHFFFAOYSA-N
XLogP5.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.26
LogP ≤ 55.67
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

(22E)-heptatetraconta-22,24-diene
CID 56629131
(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
(5E,7E)-hexadeca-5,7-diene
CID 13032294
(5Z,7Z)-pentadeca-5,7-diene
CID 14270938
(6E)-octadeca-4,6-diene
CID 173243345
1-bromotrideca-1,3-diene
CID 54061317
1-iodooctadec-9-ene
CID 54335448
(E)-1-iodoheptadec-8-ene
CID 118861241
(4E,6E)-1-chlorohexadeca-4,6-diene
CID 132820251
(1E,3E)-1-iodonona-1,3-diene
CID 11096979

Frequently Asked Questions

What is the IUPAC name of 1-iodotetradeca-3,5-diene?
The IUPAC name of 1-iodotetradeca-3,5-diene (CID 168861549) is 1-iodotetradeca-3,5-diene.
What is the SMILES notation for 1-iodotetradeca-3,5-diene?
The canonical SMILES for 1-iodotetradeca-3,5-diene is CCCCCCCCC=CC=CCCI.
What is the InChIKey of 1-iodotetradeca-3,5-diene?
The InChIKey is KRADHBBQGXZLKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25I/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h9-12H,2-8,13-14H2,1H3.
What are the key properties of 1-iodotetradeca-3,5-diene?
1-iodotetradeca-3,5-diene has a molecular weight of 320.26 g/mol, XLogP of 5.67, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodotetradeca-3,5-diene is sourced from PubChem (CID 168861549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).