13-chlorotrideca-3,5-diene

C13H23Cl — CID 168861620

IUPAC13-chlorotrideca-3,5-diene
SMILESCCC=CC=CCCCCCCCCl
InChIInChI=1S/C13H23Cl/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h3-6H,2,7-13H2,1H3
InChIKeyAEHXUMLVVVJKFP-UHFFFAOYSA-N
MW214.78 g/mol
LogP5.09
Rot. Bonds9

About 13-chlorotrideca-3,5-diene

13-chlorotrideca-3,5-diene (PubChem CID 168861620) has the molecular formula C13H23Cl and a molecular weight of 214.78 g/mol. Its IUPAC name is 13-chlorotrideca-3,5-diene.

Molecular Properties

Compound Name13-chlorotrideca-3,5-diene
PubChem CID168861620
Molecular FormulaC13H23Cl
Molecular Weight214.78 g/mol
Exact Mass214.15
IUPAC Name13-chlorotrideca-3,5-diene
SMILESCCC=CC=CCCCCCCCCl
InChIInChI=1S/C13H23Cl/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h3-6H,2,7-13H2,1H3
InChIKeyAEHXUMLVVVJKFP-UHFFFAOYSA-N
XLogP5.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500214.78
LogP ≤ 55.09
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': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(5E,7E)-17-chloroheptadeca-5,7-diene
CID 146189406
(5Z,7Z)-16-chlorohexadeca-5,7-diene
CID 146189468
(5Z,7Z)-18-chlorooctadeca-5,7-diene
CID 146189522
(5E,7Z)-13-chlorotrideca-5,7-diene
CID 146189533
11-chloroundeca-2,4-diene
CID 168861619
(4E,6E)-1-chlorohexadeca-4,6-diene
CID 132820251
trideca-1,8,10-triene
CID 548898
(7E,9E)-dodeca-7,9-dienal
CID 5368951
(12Z,14Z)-heptadeca-1,12,14-triene
CID 6443230
(11E)-hexadeca-11,13-dienal
CID 173074730
pentadeca-10,12-dien-1-ol
CID 71370409
(9Z,11E)-tetradeca-9,11-dienal
CID 10750891

Frequently Asked Questions

What is the IUPAC name of 13-chlorotrideca-3,5-diene?
The IUPAC name of 13-chlorotrideca-3,5-diene (CID 168861620) is 13-chlorotrideca-3,5-diene.
What is the SMILES notation for 13-chlorotrideca-3,5-diene?
The canonical SMILES for 13-chlorotrideca-3,5-diene is CCC=CC=CCCCCCCCCl.
What is the InChIKey of 13-chlorotrideca-3,5-diene?
The InChIKey is AEHXUMLVVVJKFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23Cl/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h3-6H,2,7-13H2,1H3.
What are the key properties of 13-chlorotrideca-3,5-diene?
13-chlorotrideca-3,5-diene has a molecular weight of 214.78 g/mol, XLogP of 5.09, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 13-chlorotrideca-3,5-diene is sourced from PubChem (CID 168861620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).