(2E,4Z,6E)-3-chloro-6-(chloromethylidene)octa-2,4-diene

C9H12Cl2 — CID 142010123

IUPAC(2E,4Z,6E)-3-chloro-6-(chloromethylidene)octa-2,4-diene
SMILESC/C=C(Cl)\C=C/C(=C/Cl)CC
InChIInChI=1S/C9H12Cl2/c1-3-8(7-10)5-6-9(11)4-2/h4-7H,3H2,1-2H3/b6-5-,8-7+,9-4+
InChIKeyXOSJDUQNMGBFRB-ARJLVYNQSA-N
MW191.10 g/mol
LogP4.22
Rot. Bonds3

About (2E,4Z,6E)-3-chloro-6-(chloromethylidene)octa-2,4-diene

(2E,4Z,6E)-3-chloro-6-(chloromethylidene)octa-2,4-diene (PubChem CID 142010123) has the molecular formula C9H12Cl2 and a molecular weight of 191.10 g/mol. Its IUPAC name is (2E,4Z,6E)-3-chloro-6-(chloromethylidene)octa-2,4-diene.

Molecular Properties

Compound Name(2E,4Z,6E)-3-chloro-6-(chloromethylidene)octa-2,4-diene
PubChem CID142010123
Molecular FormulaC9H12Cl2
Molecular Weight191.10 g/mol
Exact Mass190.03
IUPAC Name(2E,4Z,6E)-3-chloro-6-(chloromethylidene)octa-2,4-diene
SMILESC/C=C(Cl)\C=C/C(=C/Cl)CC
InChIInChI=1S/C9H12Cl2/c1-3-8(7-10)5-6-9(11)4-2/h4-7H,3H2,1-2H3/b6-5-,8-7+,9-4+
InChIKeyXOSJDUQNMGBFRB-ARJLVYNQSA-N
XLogP4.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.10
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E,4Z,6E)-3-chloro-6-(chloromethylidene)octa-2,4-diene?
The IUPAC name of (2E,4Z,6E)-3-chloro-6-(chloromethylidene)octa-2,4-diene (CID 142010123) is (2E,4Z,6E)-3-chloro-6-(chloromethylidene)octa-2,4-diene.
What is the SMILES notation for (2E,4Z,6E)-3-chloro-6-(chloromethylidene)octa-2,4-diene?
The canonical SMILES for (2E,4Z,6E)-3-chloro-6-(chloromethylidene)octa-2,4-diene is C/C=C(Cl)\C=C/C(=C/Cl)CC.
What is the InChIKey of (2E,4Z,6E)-3-chloro-6-(chloromethylidene)octa-2,4-diene?
The InChIKey is XOSJDUQNMGBFRB-ARJLVYNQSA-N. The full InChI is InChI=1S/C9H12Cl2/c1-3-8(7-10)5-6-9(11)4-2/h4-7H,3H2,1-2H3/b6-5-,8-7+,9-4+.
What are the key properties of (2E,4Z,6E)-3-chloro-6-(chloromethylidene)octa-2,4-diene?
(2E,4Z,6E)-3-chloro-6-(chloromethylidene)octa-2,4-diene has a molecular weight of 191.10 g/mol, XLogP of 4.22, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z,6E)-3-chloro-6-(chloromethylidene)octa-2,4-diene is sourced from PubChem (CID 142010123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).