(3Z,5E)-3,4-dichloro-6-ethenyl-7,7,8-trimethylnona-1,3,5-triene

C14H20Cl2 — CID 170263420

IUPAC(3Z,5E)-3,4-dichloro-6-ethenyl-7,7,8-trimethylnona-1,3,5-triene
SMILESC=C/C(Cl)=C(Cl)\C=C(/C=C)C(C)(C)C(C)C
InChIInChI=1S/C14H20Cl2/c1-7-11(14(5,6)10(3)4)9-13(16)12(15)8-2/h7-10H,1-2H2,3-6H3/b11-9+,13-12-
InChIKeyWQHPSHXQYUQWMV-ZFDSPDROSA-N
MW259.22 g/mol
LogP5.66
Rot. Bonds5

About (3Z,5E)-3,4-dichloro-6-ethenyl-7,7,8-trimethylnona-1,3,5-triene

(3Z,5E)-3,4-dichloro-6-ethenyl-7,7,8-trimethylnona-1,3,5-triene (PubChem CID 170263420) has the molecular formula C14H20Cl2 and a molecular weight of 259.22 g/mol. Its IUPAC name is (3Z,5E)-3,4-dichloro-6-ethenyl-7,7,8-trimethylnona-1,3,5-triene.

Molecular Properties

Compound Name(3Z,5E)-3,4-dichloro-6-ethenyl-7,7,8-trimethylnona-1,3,5-triene
PubChem CID170263420
Molecular FormulaC14H20Cl2
Molecular Weight259.22 g/mol
Exact Mass258.09
IUPAC Name(3Z,5E)-3,4-dichloro-6-ethenyl-7,7,8-trimethylnona-1,3,5-triene
SMILESC=C/C(Cl)=C(Cl)\C=C(/C=C)C(C)(C)C(C)C
InChIInChI=1S/C14H20Cl2/c1-7-11(14(5,6)10(3)4)9-13(16)12(15)8-2/h7-10H,1-2H2,3-6H3/b11-9+,13-12-
InChIKeyWQHPSHXQYUQWMV-ZFDSPDROSA-N
XLogP5.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500259.22
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (3Z,5E)-3,4-dichloro-6-ethenyl-7,7,8-trimethylnona-1,3,5-triene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3Z,5E)-3,4-dichloro-6-ethenyl-7,7,8-trimethylnona-1,3,5-triene?
The IUPAC name of (3Z,5E)-3,4-dichloro-6-ethenyl-7,7,8-trimethylnona-1,3,5-triene (CID 170263420) is (3Z,5E)-3,4-dichloro-6-ethenyl-7,7,8-trimethylnona-1,3,5-triene.
What is the SMILES notation for (3Z,5E)-3,4-dichloro-6-ethenyl-7,7,8-trimethylnona-1,3,5-triene?
The canonical SMILES for (3Z,5E)-3,4-dichloro-6-ethenyl-7,7,8-trimethylnona-1,3,5-triene is C=C/C(Cl)=C(Cl)\C=C(/C=C)C(C)(C)C(C)C.
What is the InChIKey of (3Z,5E)-3,4-dichloro-6-ethenyl-7,7,8-trimethylnona-1,3,5-triene?
The InChIKey is WQHPSHXQYUQWMV-ZFDSPDROSA-N. The full InChI is InChI=1S/C14H20Cl2/c1-7-11(14(5,6)10(3)4)9-13(16)12(15)8-2/h7-10H,1-2H2,3-6H3/b11-9+,13-12-.
What are the key properties of (3Z,5E)-3,4-dichloro-6-ethenyl-7,7,8-trimethylnona-1,3,5-triene?
(3Z,5E)-3,4-dichloro-6-ethenyl-7,7,8-trimethylnona-1,3,5-triene has a molecular weight of 259.22 g/mol, XLogP of 5.66, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5E)-3,4-dichloro-6-ethenyl-7,7,8-trimethylnona-1,3,5-triene is sourced from PubChem (CID 170263420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).