15-iodopentadeca-5,7-diene

C15H27I — CID 151726430

IUPAC15-iodopentadeca-5,7-diene
SMILESCCCCC=CC=CCCCCCCCI
InChIInChI=1S/C15H27I/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16/h5-8H,2-4,9-15H2,1H3
InChIKeyRJRDQUQOYBEJJQ-UHFFFAOYSA-N
MW334.29 g/mol
LogP6.06
Rot. Bonds11

About 15-iodopentadeca-5,7-diene

15-iodopentadeca-5,7-diene (PubChem CID 151726430) has the molecular formula C15H27I and a molecular weight of 334.29 g/mol. Its IUPAC name is 15-iodopentadeca-5,7-diene.

Molecular Properties

Compound Name15-iodopentadeca-5,7-diene
PubChem CID151726430
Molecular FormulaC15H27I
Molecular Weight334.29 g/mol
Exact Mass334.12
IUPAC Name15-iodopentadeca-5,7-diene
SMILESCCCCC=CC=CCCCCCCCI
InChIInChI=1S/C15H27I/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16/h5-8H,2-4,9-15H2,1H3
InChIKeyRJRDQUQOYBEJJQ-UHFFFAOYSA-N
XLogP6.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.29
LogP ≤ 56.06
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
(5E,7E)-13-iodotrideca-5,7-diene
CID 146189527
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 15-iodopentadeca-5,7-diene?
The IUPAC name of 15-iodopentadeca-5,7-diene (CID 151726430) is 15-iodopentadeca-5,7-diene.
What is the SMILES notation for 15-iodopentadeca-5,7-diene?
The canonical SMILES for 15-iodopentadeca-5,7-diene is CCCCC=CC=CCCCCCCCI.
What is the InChIKey of 15-iodopentadeca-5,7-diene?
The InChIKey is RJRDQUQOYBEJJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27I/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16/h5-8H,2-4,9-15H2,1H3.
What are the key properties of 15-iodopentadeca-5,7-diene?
15-iodopentadeca-5,7-diene has a molecular weight of 334.29 g/mol, XLogP of 6.06, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 15-iodopentadeca-5,7-diene is sourced from PubChem (CID 151726430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).