(5E,9E)-11-chloro-11-methyldodeca-1,5,9-triene

C13H21Cl — CID 88672881

IUPAC(5E,9E)-11-chloro-11-methyldodeca-1,5,9-triene
SMILESC=CCC/C=C/CC/C=C/C(C)(C)Cl
InChIInChI=1S/C13H21Cl/c1-4-5-6-7-8-9-10-11-12-13(2,3)14/h4,7-8,11-12H,1,5-6,9-10H2,2-3H3/b8-7+,12-11+
InChIKeyFFVYSLWSUCNSCJ-NJHWEWLZSA-N
MW212.76 g/mol
LogP4.86
Rot. Bonds7

About (5E,9E)-11-chloro-11-methyldodeca-1,5,9-triene

(5E,9E)-11-chloro-11-methyldodeca-1,5,9-triene (PubChem CID 88672881) has the molecular formula C13H21Cl and a molecular weight of 212.76 g/mol. Its IUPAC name is (5E,9E)-11-chloro-11-methyldodeca-1,5,9-triene.

Molecular Properties

Compound Name(5E,9E)-11-chloro-11-methyldodeca-1,5,9-triene
PubChem CID88672881
Molecular FormulaC13H21Cl
Molecular Weight212.76 g/mol
Exact Mass212.13
IUPAC Name(5E,9E)-11-chloro-11-methyldodeca-1,5,9-triene
SMILESC=CCC/C=C/CC/C=C/C(C)(C)Cl
InChIInChI=1S/C13H21Cl/c1-4-5-6-7-8-9-10-11-12-13(2,3)14/h4,7-8,11-12H,1,5-6,9-10H2,2-3H3/b8-7+,12-11+
InChIKeyFFVYSLWSUCNSCJ-NJHWEWLZSA-N
XLogP4.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.76
LogP ≤ 54.86
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': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (5E,9E)-11-chloro-11-methyldodeca-1,5,9-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

(5E)-deca-1,5,9-triene
CID 5362636
12,12-dimethyltrideca-1,6,10-triene
CID 144926116
(5Z,9E)-dodeca-1,5,9-triene
CID 173147853
(5E)-nona-1,5-diene
CID 6429608
N-tert-butylocta-3,7-dien-1-amine
CID 79599295
ethene;octa-1,5-diene
CID 175164046
8-methylnona-1,5-diene
CID 54303226
pentadeca-1,5,9-triene
CID 174048710
10-methylundeca-1,5,9-triene
CID 71330376
2-methyldeca-1,5,9-triene
CID 163214311
hexadeca-1,5,13-triene
CID 174048718
ethane;(5Z)-hepta-1,5-diene;hydrochloride
CID 143911102

Frequently Asked Questions

What is the IUPAC name of (5E,9E)-11-chloro-11-methyldodeca-1,5,9-triene?
The IUPAC name of (5E,9E)-11-chloro-11-methyldodeca-1,5,9-triene (CID 88672881) is (5E,9E)-11-chloro-11-methyldodeca-1,5,9-triene.
What is the SMILES notation for (5E,9E)-11-chloro-11-methyldodeca-1,5,9-triene?
The canonical SMILES for (5E,9E)-11-chloro-11-methyldodeca-1,5,9-triene is C=CCC/C=C/CC/C=C/C(C)(C)Cl.
What is the InChIKey of (5E,9E)-11-chloro-11-methyldodeca-1,5,9-triene?
The InChIKey is FFVYSLWSUCNSCJ-NJHWEWLZSA-N. The full InChI is InChI=1S/C13H21Cl/c1-4-5-6-7-8-9-10-11-12-13(2,3)14/h4,7-8,11-12H,1,5-6,9-10H2,2-3H3/b8-7+,12-11+.
What are the key properties of (5E,9E)-11-chloro-11-methyldodeca-1,5,9-triene?
(5E,9E)-11-chloro-11-methyldodeca-1,5,9-triene has a molecular weight of 212.76 g/mol, XLogP of 4.86, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (5E,9E)-11-chloro-11-methyldodeca-1,5,9-triene is sourced from PubChem (CID 88672881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).