(5E,7E)-13-iodotrideca-5,7-diene

C13H23I — CID 146189527

IUPAC(5E,7E)-13-iodotrideca-5,7-diene
SMILESCCCC/C=C/C=C/CCCCCI
InChIInChI=1S/C13H23I/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h5-8H,2-4,9-13H2,1H3/b6-5+,8-7+
InChIKeyRFTXJTGCRAQIBK-BSWSSELBSA-N
MW306.23 g/mol
LogP5.28
Rot. Bonds9

About (5E,7E)-13-iodotrideca-5,7-diene

(5E,7E)-13-iodotrideca-5,7-diene (PubChem CID 146189527) has the molecular formula C13H23I and a molecular weight of 306.23 g/mol. Its IUPAC name is (5E,7E)-13-iodotrideca-5,7-diene.

Molecular Properties

Compound Name(5E,7E)-13-iodotrideca-5,7-diene
PubChem CID146189527
Molecular FormulaC13H23I
Molecular Weight306.23 g/mol
Exact Mass306.08
IUPAC Name(5E,7E)-13-iodotrideca-5,7-diene
SMILESCCCC/C=C/C=C/CCCCCI
InChIInChI=1S/C13H23I/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h5-8H,2-4,9-13H2,1H3/b6-5+,8-7+
InChIKeyRFTXJTGCRAQIBK-BSWSSELBSA-N
XLogP5.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.23
LogP ≤ 55.28
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
1-iodotetradeca-3,5-diene
CID 168861549
1-iodooctadec-9-ene
CID 54335448
(E)-1-iodoheptadec-8-ene
CID 118861241
(5Z,7Z)-pentadeca-5,7-diene
CID 14270938
(5E,7E)-hexadeca-5,7-diene
CID 13032294
(22E)-heptatetraconta-22,24-diene
CID 56629131
11-iodoundeca-2,4-diene
CID 168861625
18-iodooctadeca-6,9-diene
CID 54451321
(5E,7E)-17-chloroheptadeca-5,7-diene
CID 146189406
(5Z,7Z)-18-chlorooctadeca-5,7-diene
CID 146189522

Frequently Asked Questions

What is the IUPAC name of (5E,7E)-13-iodotrideca-5,7-diene?
The IUPAC name of (5E,7E)-13-iodotrideca-5,7-diene (CID 146189527) is (5E,7E)-13-iodotrideca-5,7-diene.
What is the SMILES notation for (5E,7E)-13-iodotrideca-5,7-diene?
The canonical SMILES for (5E,7E)-13-iodotrideca-5,7-diene is CCCC/C=C/C=C/CCCCCI.
What is the InChIKey of (5E,7E)-13-iodotrideca-5,7-diene?
The InChIKey is RFTXJTGCRAQIBK-BSWSSELBSA-N. The full InChI is InChI=1S/C13H23I/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h5-8H,2-4,9-13H2,1H3/b6-5+,8-7+.
What are the key properties of (5E,7E)-13-iodotrideca-5,7-diene?
(5E,7E)-13-iodotrideca-5,7-diene has a molecular weight of 306.23 g/mol, XLogP of 5.28, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (5E,7E)-13-iodotrideca-5,7-diene is sourced from PubChem (CID 146189527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).