(4Z,6E)-1-chloropentadeca-4,6-diene

C15H27Cl — CID 11736653

IUPAC(4Z,6E)-1-chloropentadeca-4,6-diene
SMILESCCCCCCCC/C=C/C=C\CCCCl
InChIInChI=1S/C15H27Cl/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16/h9-12H,2-8,13-15H2,1H3/b10-9+,12-11-
InChIKeyZIDZXTOCEMTDNN-PVHUKWJHSA-N
MW242.83 g/mol
LogP5.87
Rot. Bonds11

About (4Z,6E)-1-chloropentadeca-4,6-diene

(4Z,6E)-1-chloropentadeca-4,6-diene (PubChem CID 11736653) has the molecular formula C15H27Cl and a molecular weight of 242.83 g/mol. Its IUPAC name is (4Z,6E)-1-chloropentadeca-4,6-diene.

Molecular Properties

Compound Name(4Z,6E)-1-chloropentadeca-4,6-diene
PubChem CID11736653
Molecular FormulaC15H27Cl
Molecular Weight242.83 g/mol
Exact Mass242.18
IUPAC Name(4Z,6E)-1-chloropentadeca-4,6-diene
SMILESCCCCCCCC/C=C/C=C\CCCCl
InChIInChI=1S/C15H27Cl/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16/h9-12H,2-8,13-15H2,1H3/b10-9+,12-11-
InChIKeyZIDZXTOCEMTDNN-PVHUKWJHSA-N
XLogP5.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500242.83
LogP ≤ 55.87
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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Frequently Asked Questions

What is the IUPAC name of (4Z,6E)-1-chloropentadeca-4,6-diene?
The IUPAC name of (4Z,6E)-1-chloropentadeca-4,6-diene (CID 11736653) is (4Z,6E)-1-chloropentadeca-4,6-diene.
What is the SMILES notation for (4Z,6E)-1-chloropentadeca-4,6-diene?
The canonical SMILES for (4Z,6E)-1-chloropentadeca-4,6-diene is CCCCCCCC/C=C/C=C\CCCCl.
What is the InChIKey of (4Z,6E)-1-chloropentadeca-4,6-diene?
The InChIKey is ZIDZXTOCEMTDNN-PVHUKWJHSA-N. The full InChI is InChI=1S/C15H27Cl/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16/h9-12H,2-8,13-15H2,1H3/b10-9+,12-11-.
What are the key properties of (4Z,6E)-1-chloropentadeca-4,6-diene?
(4Z,6E)-1-chloropentadeca-4,6-diene has a molecular weight of 242.83 g/mol, XLogP of 5.87, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,6E)-1-chloropentadeca-4,6-diene is sourced from PubChem (CID 11736653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).