(2E,4E)-8-chloroocta-2,4-diene

C8H13Cl — CID 55302573

IUPAC(2E,4E)-8-chloroocta-2,4-diene
SMILESC/C=C/C=C/CCCCl
InChIInChI=1S/C8H13Cl/c1-2-3-4-5-6-7-8-9/h2-5H,6-8H2,1H3/b3-2+,5-4+
InChIKeyZBPBVMPMKHZQRK-MQQKCMAXSA-N
MW144.64 g/mol
LogP3.14
Rot. Bonds4

About (2E,4E)-8-chloroocta-2,4-diene

(2E,4E)-8-chloroocta-2,4-diene (PubChem CID 55302573) has the molecular formula C8H13Cl and a molecular weight of 144.64 g/mol. Its IUPAC name is (2E,4E)-8-chloroocta-2,4-diene.

Molecular Properties

Compound Name(2E,4E)-8-chloroocta-2,4-diene
PubChem CID55302573
Molecular FormulaC8H13Cl
Molecular Weight144.64 g/mol
Exact Mass144.07
IUPAC Name(2E,4E)-8-chloroocta-2,4-diene
SMILESC/C=C/C=C/CCCCl
InChIInChI=1S/C8H13Cl/c1-2-3-4-5-6-7-8-9/h2-5H,6-8H2,1H3/b3-2+,5-4+
InChIKeyZBPBVMPMKHZQRK-MQQKCMAXSA-N
XLogP3.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.64
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

11-chloroundeca-2,4-diene
CID 168861619
(4E,6E)-1,10-dichlorodeca-4,6-diene
CID 11310278
trideca-2,4,6,8-tetraene
CID 54117998
(4E,6E)-1-chlorohexadeca-4,6-diene
CID 132820251
(2E,4E,6E)-dodeca-2,4,6-triene
CID 10975832
10-chlorodec-2-ene
CID 54299561
12-chlorododec-2-ene
CID 56977389
11-bromoundeca-2,4-diene
CID 168861580
11-iodoundeca-2,4-diene
CID 168861625
(2E,4E)-10,10-dimethylundeca-2,4-diene
CID 166042308
(10E,12E)-hexadeca-10,12,14-trien-1-ol
CID 134532994
(5E,7E)-nona-5,7-dienoic acid
CID 5312593

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-8-chloroocta-2,4-diene?
The IUPAC name of (2E,4E)-8-chloroocta-2,4-diene (CID 55302573) is (2E,4E)-8-chloroocta-2,4-diene.
What is the SMILES notation for (2E,4E)-8-chloroocta-2,4-diene?
The canonical SMILES for (2E,4E)-8-chloroocta-2,4-diene is C/C=C/C=C/CCCCl.
What is the InChIKey of (2E,4E)-8-chloroocta-2,4-diene?
The InChIKey is ZBPBVMPMKHZQRK-MQQKCMAXSA-N. The full InChI is InChI=1S/C8H13Cl/c1-2-3-4-5-6-7-8-9/h2-5H,6-8H2,1H3/b3-2+,5-4+.
What are the key properties of (2E,4E)-8-chloroocta-2,4-diene?
(2E,4E)-8-chloroocta-2,4-diene has a molecular weight of 144.64 g/mol, XLogP of 3.14, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-8-chloroocta-2,4-diene is sourced from PubChem (CID 55302573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).