(5Z,7E)-16-iodohexadeca-5,7-diene

C16H29I — CID 146189479

IUPAC(5Z,7E)-16-iodohexadeca-5,7-diene
SMILESCCCC/C=C\C=C\CCCCCCCCI
InChIInChI=1S/C16H29I/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h5-8H,2-4,9-16H2,1H3/b6-5-,8-7+
InChIKeyQPFUWJGWRXKUHU-IGTJQSIKSA-N
MW348.31 g/mol
LogP6.45
Rot. Bonds12

About (5Z,7E)-16-iodohexadeca-5,7-diene

(5Z,7E)-16-iodohexadeca-5,7-diene (PubChem CID 146189479) has the molecular formula C16H29I and a molecular weight of 348.31 g/mol. Its IUPAC name is (5Z,7E)-16-iodohexadeca-5,7-diene.

Molecular Properties

Compound Name(5Z,7E)-16-iodohexadeca-5,7-diene
PubChem CID146189479
Molecular FormulaC16H29I
Molecular Weight348.31 g/mol
Exact Mass348.13
IUPAC Name(5Z,7E)-16-iodohexadeca-5,7-diene
SMILESCCCC/C=C\C=C\CCCCCCCCI
InChIInChI=1S/C16H29I/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h5-8H,2-4,9-16H2,1H3/b6-5-,8-7+
InChIKeyQPFUWJGWRXKUHU-IGTJQSIKSA-N
XLogP6.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.31
LogP ≤ 56.45
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

15-iodopentadeca-5,7-diene
CID 151726430
(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
(5E,7E)-hexadeca-5,7-diene
CID 13032294
(5Z,7Z)-pentadeca-5,7-diene
CID 14270938
(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 (5Z,7E)-16-iodohexadeca-5,7-diene?
The IUPAC name of (5Z,7E)-16-iodohexadeca-5,7-diene (CID 146189479) is (5Z,7E)-16-iodohexadeca-5,7-diene.
What is the SMILES notation for (5Z,7E)-16-iodohexadeca-5,7-diene?
The canonical SMILES for (5Z,7E)-16-iodohexadeca-5,7-diene is CCCC/C=C\C=C\CCCCCCCCI.
What is the InChIKey of (5Z,7E)-16-iodohexadeca-5,7-diene?
The InChIKey is QPFUWJGWRXKUHU-IGTJQSIKSA-N. The full InChI is InChI=1S/C16H29I/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h5-8H,2-4,9-16H2,1H3/b6-5-,8-7+.
What are the key properties of (5Z,7E)-16-iodohexadeca-5,7-diene?
(5Z,7E)-16-iodohexadeca-5,7-diene has a molecular weight of 348.31 g/mol, XLogP of 6.45, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,7E)-16-iodohexadeca-5,7-diene is sourced from PubChem (CID 146189479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).