(5E,7Z)-13-chlorotrideca-5,7-diene

C13H23Cl — CID 146189533

IUPAC(5E,7Z)-13-chlorotrideca-5,7-diene
SMILESCCCC/C=C/C=C\CCCCCCl
InChIInChI=1S/C13H23Cl/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h5-8H,2-4,9-13H2,1H3/b6-5+,8-7-
InChIKeyXOGJMLDQBZAJII-MDAAKZFYSA-N
MW214.78 g/mol
LogP5.09
Rot. Bonds9

About (5E,7Z)-13-chlorotrideca-5,7-diene

(5E,7Z)-13-chlorotrideca-5,7-diene (PubChem CID 146189533) has the molecular formula C13H23Cl and a molecular weight of 214.78 g/mol. Its IUPAC name is (5E,7Z)-13-chlorotrideca-5,7-diene.

Molecular Properties

Compound Name(5E,7Z)-13-chlorotrideca-5,7-diene
PubChem CID146189533
Molecular FormulaC13H23Cl
Molecular Weight214.78 g/mol
Exact Mass214.15
IUPAC Name(5E,7Z)-13-chlorotrideca-5,7-diene
SMILESCCCC/C=C/C=C\CCCCCCl
InChIInChI=1S/C13H23Cl/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h5-8H,2-4,9-13H2,1H3/b6-5+,8-7-
InChIKeyXOGJMLDQBZAJII-MDAAKZFYSA-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
(4E,6E)-1-chlorohexadeca-4,6-diene
CID 132820251
1-chlorodec-5-ene
CID 3085570
(E)-1-chloroheptadec-7-ene
CID 5364485
1-chlorooctadec-9-ene
CID 558046
(5E,7E)-hexadeca-5,7-diene
CID 13032294
(5Z,7Z)-pentadeca-5,7-diene
CID 14270938
13-chlorotrideca-3,5-diene
CID 168861620
(22E)-heptatetraconta-22,24-diene
CID 56629131
1-chlorotridec-4-ene
CID 54390291

Frequently Asked Questions

What is the IUPAC name of (5E,7Z)-13-chlorotrideca-5,7-diene?
The IUPAC name of (5E,7Z)-13-chlorotrideca-5,7-diene (CID 146189533) is (5E,7Z)-13-chlorotrideca-5,7-diene.
What is the SMILES notation for (5E,7Z)-13-chlorotrideca-5,7-diene?
The canonical SMILES for (5E,7Z)-13-chlorotrideca-5,7-diene is CCCC/C=C/C=C\CCCCCCl.
What is the InChIKey of (5E,7Z)-13-chlorotrideca-5,7-diene?
The InChIKey is XOGJMLDQBZAJII-MDAAKZFYSA-N. The full InChI is InChI=1S/C13H23Cl/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h5-8H,2-4,9-13H2,1H3/b6-5+,8-7-.
What are the key properties of (5E,7Z)-13-chlorotrideca-5,7-diene?
(5E,7Z)-13-chlorotrideca-5,7-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 (5E,7Z)-13-chlorotrideca-5,7-diene is sourced from PubChem (CID 146189533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).