(3Z,5Z)-7-chloro-3-methylhepta-1,3,5-triene

C8H11Cl — CID 89318650

IUPAC(3Z,5Z)-7-chloro-3-methylhepta-1,3,5-triene
SMILESC=C/C(C)=C\C=C/CCl
InChIInChI=1S/C8H11Cl/c1-3-8(2)6-4-5-7-9/h3-6H,1,7H2,2H3/b5-4-,8-6-
InChIKeyCQMHGXCKOHHRIU-NADLECRISA-N
MW142.63 g/mol
LogP2.91
Rot. Bonds3

About (3Z,5Z)-7-chloro-3-methylhepta-1,3,5-triene

(3Z,5Z)-7-chloro-3-methylhepta-1,3,5-triene (PubChem CID 89318650) has the molecular formula C8H11Cl and a molecular weight of 142.63 g/mol. Its IUPAC name is (3Z,5Z)-7-chloro-3-methylhepta-1,3,5-triene.

Molecular Properties

Compound Name(3Z,5Z)-7-chloro-3-methylhepta-1,3,5-triene
PubChem CID89318650
Molecular FormulaC8H11Cl
Molecular Weight142.63 g/mol
Exact Mass142.05
IUPAC Name(3Z,5Z)-7-chloro-3-methylhepta-1,3,5-triene
SMILESC=C/C(C)=C\C=C/CCl
InChIInChI=1S/C8H11Cl/c1-3-8(2)6-4-5-7-9/h3-6H,1,7H2,2H3/b5-4-,8-6-
InChIKeyCQMHGXCKOHHRIU-NADLECRISA-N
XLogP2.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.63
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (3Z,5Z)-7-chloro-3-methylhepta-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,5Z)-7-chloro-3-methylhepta-1,3,5-triene?
The IUPAC name of (3Z,5Z)-7-chloro-3-methylhepta-1,3,5-triene (CID 89318650) is (3Z,5Z)-7-chloro-3-methylhepta-1,3,5-triene.
What is the SMILES notation for (3Z,5Z)-7-chloro-3-methylhepta-1,3,5-triene?
The canonical SMILES for (3Z,5Z)-7-chloro-3-methylhepta-1,3,5-triene is C=C/C(C)=C\C=C/CCl.
What is the InChIKey of (3Z,5Z)-7-chloro-3-methylhepta-1,3,5-triene?
The InChIKey is CQMHGXCKOHHRIU-NADLECRISA-N. The full InChI is InChI=1S/C8H11Cl/c1-3-8(2)6-4-5-7-9/h3-6H,1,7H2,2H3/b5-4-,8-6-.
What are the key properties of (3Z,5Z)-7-chloro-3-methylhepta-1,3,5-triene?
(3Z,5Z)-7-chloro-3-methylhepta-1,3,5-triene has a molecular weight of 142.63 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-7-chloro-3-methylhepta-1,3,5-triene is sourced from PubChem (CID 89318650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).