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

C8H11Cl — CID 142113042

IUPAC(1E,3Z,5E)-1-chloroocta-1,3,5-triene
SMILESCC/C=C/C=C\C=C\Cl
InChIInChI=1S/C8H11Cl/c1-2-3-4-5-6-7-8-9/h3-8H,2H2,1H3/b4-3+,6-5-,8-7+
InChIKeyDPICCFJRKZALTH-GFCVGDSUSA-N
MW142.63 g/mol
LogP3.26
Rot. Bonds3

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

(1E,3Z,5E)-1-chloroocta-1,3,5-triene (PubChem CID 142113042) has the molecular formula C8H11Cl and a molecular weight of 142.63 g/mol. Its IUPAC name is (1E,3Z,5E)-1-chloroocta-1,3,5-triene.

Molecular Properties

Compound Name(1E,3Z,5E)-1-chloroocta-1,3,5-triene
PubChem CID142113042
Molecular FormulaC8H11Cl
Molecular Weight142.63 g/mol
Exact Mass142.05
IUPAC Name(1E,3Z,5E)-1-chloroocta-1,3,5-triene
SMILESCC/C=C/C=C\C=C\Cl
InChIInChI=1S/C8H11Cl/c1-2-3-4-5-6-7-8-9/h3-8H,2H2,1H3/b4-3+,6-5-,8-7+
InChIKeyDPICCFJRKZALTH-GFCVGDSUSA-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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Related Compounds

(5E)-octa-3,5-diene
CID 173104147
ethane;(3Z,5Z)-octa-3,5-diene
CID 142104932
(3Z,5E)-1-chlorodeca-1,3,5-triene
CID 138968587
deca-1,3,5,7-tetraene
CID 54238998
ethane;(2Z,4Z,6Z)-nona-2,4,6-triene
CID 142106659
1-methoxydodeca-1,3,5,7,9-pentaene
CID 71335564
icosa-1,3,5,7,9,11,13,15,17-nonaene
CID 91364807
(3E,5E,7E,9E,11E,13E,15E,17E,19E,21E,23E,25E)-octacosa-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecaene
CID 173025188
docosa-1,3,5,7,9,11,13,15,17,19-decaene
CID 91543808
(3E,5E,7E,11E)-tetradeca-3,5,7,11-tetraene
CID 173380885
(1E,3E)-1-chloronona-1,3-diene
CID 10964790
(1E,3E)-1-chlorododeca-1,3-diene
CID 15469424

Frequently Asked Questions

What is the IUPAC name of (1E,3Z,5E)-1-chloroocta-1,3,5-triene?
The IUPAC name of (1E,3Z,5E)-1-chloroocta-1,3,5-triene (CID 142113042) is (1E,3Z,5E)-1-chloroocta-1,3,5-triene.
What is the SMILES notation for (1E,3Z,5E)-1-chloroocta-1,3,5-triene?
The canonical SMILES for (1E,3Z,5E)-1-chloroocta-1,3,5-triene is CC/C=C/C=C\C=C\Cl.
What is the InChIKey of (1E,3Z,5E)-1-chloroocta-1,3,5-triene?
The InChIKey is DPICCFJRKZALTH-GFCVGDSUSA-N. The full InChI is InChI=1S/C8H11Cl/c1-2-3-4-5-6-7-8-9/h3-8H,2H2,1H3/b4-3+,6-5-,8-7+.
What are the key properties of (1E,3Z,5E)-1-chloroocta-1,3,5-triene?
(1E,3Z,5E)-1-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 (1E,3Z,5E)-1-chloroocta-1,3,5-triene is sourced from PubChem (CID 142113042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).