(3E,5Z)-3-chloroocta-1,3,5-triene

C8H11Cl — CID 143682156

IUPAC(3E,5Z)-3-chloroocta-1,3,5-triene
SMILESC=C/C(Cl)=C\C=C/CC
InChIInChI=1S/C8H11Cl/c1-3-5-6-7-8(9)4-2/h4-7H,2-3H2,1H3/b6-5-,8-7+
InChIKeyCBDZFHZAFAKAER-IGTJQSIKSA-N
MW142.63 g/mol
LogP3.26
Rot. Bonds3

About (3E,5Z)-3-chloroocta-1,3,5-triene

(3E,5Z)-3-chloroocta-1,3,5-triene (PubChem CID 143682156) has the molecular formula C8H11Cl and a molecular weight of 142.63 g/mol. Its IUPAC name is (3E,5Z)-3-chloroocta-1,3,5-triene.

Molecular Properties

Compound Name(3E,5Z)-3-chloroocta-1,3,5-triene
PubChem CID143682156
Molecular FormulaC8H11Cl
Molecular Weight142.63 g/mol
Exact Mass142.05
IUPAC Name(3E,5Z)-3-chloroocta-1,3,5-triene
SMILESC=C/C(Cl)=C\C=C/CC
InChIInChI=1S/C8H11Cl/c1-3-5-6-7-8(9)4-2/h4-7H,2-3H2,1H3/b6-5-,8-7+
InChIKeyCBDZFHZAFAKAER-IGTJQSIKSA-N
XLogP3.26
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 ≤ 53.26
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 (3E,5Z)-3-chloroocta-1,3,5-triene?
The IUPAC name of (3E,5Z)-3-chloroocta-1,3,5-triene (CID 143682156) is (3E,5Z)-3-chloroocta-1,3,5-triene.
What is the SMILES notation for (3E,5Z)-3-chloroocta-1,3,5-triene?
The canonical SMILES for (3E,5Z)-3-chloroocta-1,3,5-triene is C=C/C(Cl)=C\C=C/CC.
What is the InChIKey of (3E,5Z)-3-chloroocta-1,3,5-triene?
The InChIKey is CBDZFHZAFAKAER-IGTJQSIKSA-N. The full InChI is InChI=1S/C8H11Cl/c1-3-5-6-7-8(9)4-2/h4-7H,2-3H2,1H3/b6-5-,8-7+.
What are the key properties of (3E,5Z)-3-chloroocta-1,3,5-triene?
(3E,5Z)-3-chloroocta-1,3,5-triene has a molecular weight of 142.63 g/mol, XLogP of 3.26, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5Z)-3-chloroocta-1,3,5-triene is sourced from PubChem (CID 143682156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).