(3E,5E)-1-iodo-4-methyltrideca-3,5-diene

C14H25I — CID 45258499

IUPAC(3E,5E)-1-iodo-4-methyltrideca-3,5-diene
SMILESCCCCCCC/C=C/C(C)=C/CCI
InChIInChI=1S/C14H25I/c1-3-4-5-6-7-8-9-11-14(2)12-10-13-15/h9,11-12H,3-8,10,13H2,1-2H3/b11-9+,14-12+
InChIKeyKARFFXMYPVYWKD-HUJVCGDBSA-N
MW320.26 g/mol
LogP5.67
Rot. Bonds9

About (3E,5E)-1-iodo-4-methyltrideca-3,5-diene

(3E,5E)-1-iodo-4-methyltrideca-3,5-diene (PubChem CID 45258499) has the molecular formula C14H25I and a molecular weight of 320.26 g/mol. Its IUPAC name is (3E,5E)-1-iodo-4-methyltrideca-3,5-diene.

Molecular Properties

Compound Name(3E,5E)-1-iodo-4-methyltrideca-3,5-diene
PubChem CID45258499
Molecular FormulaC14H25I
Molecular Weight320.26 g/mol
Exact Mass320.10
IUPAC Name(3E,5E)-1-iodo-4-methyltrideca-3,5-diene
SMILESCCCCCCC/C=C/C(C)=C/CCI
InChIInChI=1S/C14H25I/c1-3-4-5-6-7-8-9-11-14(2)12-10-13-15/h9,11-12H,3-8,10,13H2,1-2H3/b11-9+,14-12+
InChIKeyKARFFXMYPVYWKD-HUJVCGDBSA-N
XLogP5.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
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

(2Z)-3-Methyl-4-methylideneoct-2-ene
CID 121232770
(E,Z)-2,4-Dodecadiene
CID 5365771
1,3-Dodecadiene
CID 6365157
Pentadeca-1,3-diene
CID 156549
Trideca-1,3-diene
CID 181592
Pentylcyclohexadiene
CID 20453786
11-Methyldodeca-1,10-diene
CID 13347153
5,7-Pentadecadiene
CID 14270937
Tetradeca-1,3-diene
CID 6365430
Pentadecadiene
CID 6440528
(3E)-trideca-1,3-diene
CID 6442620
(2E,4E)-dodeca-2,4-diene
CID 6536889

Frequently Asked Questions

What is the IUPAC name of (3E,5E)-1-iodo-4-methyltrideca-3,5-diene?
The IUPAC name of (3E,5E)-1-iodo-4-methyltrideca-3,5-diene (CID 45258499) is (3E,5E)-1-iodo-4-methyltrideca-3,5-diene.
What is the SMILES notation for (3E,5E)-1-iodo-4-methyltrideca-3,5-diene?
The canonical SMILES for (3E,5E)-1-iodo-4-methyltrideca-3,5-diene is CCCCCCC/C=C/C(C)=C/CCI.
What is the InChIKey of (3E,5E)-1-iodo-4-methyltrideca-3,5-diene?
The InChIKey is KARFFXMYPVYWKD-HUJVCGDBSA-N. The full InChI is InChI=1S/C14H25I/c1-3-4-5-6-7-8-9-11-14(2)12-10-13-15/h9,11-12H,3-8,10,13H2,1-2H3/b11-9+,14-12+.
What are the key properties of (3E,5E)-1-iodo-4-methyltrideca-3,5-diene?
(3E,5E)-1-iodo-4-methyltrideca-3,5-diene has a molecular weight of 320.26 g/mol, XLogP of 5.67, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5E)-1-iodo-4-methyltrideca-3,5-diene is sourced from PubChem (CID 45258499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).