1-iodo-5,9-dimethyldeca-1,4,8-triene

C12H19I — CID 173018120

IUPAC1-iodo-5,9-dimethyldeca-1,4,8-triene
SMILESCC(C)=CCCC(C)=CCC=CI
InChIInChI=1S/C12H19I/c1-11(2)7-6-9-12(3)8-4-5-10-13/h5,7-8,10H,4,6,9H2,1-3H3
InChIKeySHABXKMIAQJPCF-UHFFFAOYSA-N
MW290.19 g/mol
LogP5.02
Rot. Bonds5

About 1-iodo-5,9-dimethyldeca-1,4,8-triene

1-iodo-5,9-dimethyldeca-1,4,8-triene (PubChem CID 173018120) has the molecular formula C12H19I and a molecular weight of 290.19 g/mol. Its IUPAC name is 1-iodo-5,9-dimethyldeca-1,4,8-triene.

Molecular Properties

Compound Name1-iodo-5,9-dimethyldeca-1,4,8-triene
PubChem CID173018120
Molecular FormulaC12H19I
Molecular Weight290.19 g/mol
Exact Mass290.05
IUPAC Name1-iodo-5,9-dimethyldeca-1,4,8-triene
SMILESCC(C)=CCCC(C)=CCC=CI
InChIInChI=1S/C12H19I/c1-11(2)7-6-9-12(3)8-4-5-10-13/h5,7-8,10H,4,6,9H2,1-3H3
InChIKeySHABXKMIAQJPCF-UHFFFAOYSA-N
XLogP5.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.19
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-iodo-5,9-dimethyldeca-1,4,8-triene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(10E)-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraene
CID 173158415
(6Z,10Z,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 24871318
(14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 131954652
2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 173324782
12-chloro-2,6,10-trimethyldodeca-2,6,9-triene
CID 176889443
ethyl (2E,5E)-6,10-dimethylundeca-2,5,9-trienoate
CID 10847442
(2E,10E)-1-iodo-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraene
CID 175339928
1-bromo-2,6,10-trimethylundeca-1,5,9-triene
CID 86044295
(6E,10E,15E)-2,6,10,16,20-pentamethylhenicosa-2,6,10,15,19-pentaene
CID 58662859
(4E,8E,12E,16E)-5,9,13,17,21-pentamethyldocosa-4,8,12,16,20-pentaenoic acid
CID 102141695
(6E)-2,6-dimethylocta-2,6-diene
CID 5365898
(2E)-3,7-dimethylocta-2,6-dien-1-ol;hydrochloride
CID 126649589

Frequently Asked Questions

What is the IUPAC name of 1-iodo-5,9-dimethyldeca-1,4,8-triene?
The IUPAC name of 1-iodo-5,9-dimethyldeca-1,4,8-triene (CID 173018120) is 1-iodo-5,9-dimethyldeca-1,4,8-triene.
What is the SMILES notation for 1-iodo-5,9-dimethyldeca-1,4,8-triene?
The canonical SMILES for 1-iodo-5,9-dimethyldeca-1,4,8-triene is CC(C)=CCCC(C)=CCC=CI.
What is the InChIKey of 1-iodo-5,9-dimethyldeca-1,4,8-triene?
The InChIKey is SHABXKMIAQJPCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19I/c1-11(2)7-6-9-12(3)8-4-5-10-13/h5,7-8,10H,4,6,9H2,1-3H3.
What are the key properties of 1-iodo-5,9-dimethyldeca-1,4,8-triene?
1-iodo-5,9-dimethyldeca-1,4,8-triene has a molecular weight of 290.19 g/mol, XLogP of 5.02, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodo-5,9-dimethyldeca-1,4,8-triene is sourced from PubChem (CID 173018120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).