2,6-dichlorooct-4-ene

C8H14Cl2 — CID 54432794

IUPAC2,6-dichlorooct-4-ene
SMILESCCC(Cl)C=CCC(C)Cl
InChIInChI=1S/C8H14Cl2/c1-3-8(10)6-4-5-7(2)9/h4,6-8H,3,5H2,1-2H3
InChIKeyWIRGSMJHOIFLTM-UHFFFAOYSA-N
MW181.11 g/mol
LogP3.58
Rot. Bonds4

About 2,6-dichlorooct-4-ene

2,6-dichlorooct-4-ene (PubChem CID 54432794) has the molecular formula C8H14Cl2 and a molecular weight of 181.11 g/mol. Its IUPAC name is 2,6-dichlorooct-4-ene.

Molecular Properties

Compound Name2,6-dichlorooct-4-ene
PubChem CID54432794
Molecular FormulaC8H14Cl2
Molecular Weight181.11 g/mol
Exact Mass180.05
IUPAC Name2,6-dichlorooct-4-ene
SMILESCCC(Cl)C=CCC(C)Cl
InChIInChI=1S/C8H14Cl2/c1-3-8(10)6-4-5-7(2)9/h4,6-8H,3,5H2,1-2H3
InChIKeyWIRGSMJHOIFLTM-UHFFFAOYSA-N
XLogP3.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.11
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(E)-4-chloro-1-[(E)-4-chlorohex-2-enoxy]hex-2-ene
CID 89236071
2-chlorobutane;silane
CID 174414093
(Z)-1,2-dichlorohex-3-ene
CID 142932239
3,7,8-trimethylnon-4-ene
CID 91465939
(2E,6E)-4,8-dimethyldeca-2,6-diene
CID 173250236
1,1-dichloropropane;piperazine
CID 158166114
(E)-2,6-dimethylhept-3-ene
CID 5364654
1,1,4-trichloropent-1-ene
CID 23263214
3,6-dimethyloct-4-ene
CID 73165576
(E,4S,5R)-4,5-dichlorohex-2-en-1-ol
CID 25187324
(E)-5-chlorododec-6-ene
CID 88752571
4-chloropent-1-enylbenzene
CID 66808272

Frequently Asked Questions

What is the IUPAC name of 2,6-dichlorooct-4-ene?
The IUPAC name of 2,6-dichlorooct-4-ene (CID 54432794) is 2,6-dichlorooct-4-ene.
What is the SMILES notation for 2,6-dichlorooct-4-ene?
The canonical SMILES for 2,6-dichlorooct-4-ene is CCC(Cl)C=CCC(C)Cl.
What is the InChIKey of 2,6-dichlorooct-4-ene?
The InChIKey is WIRGSMJHOIFLTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14Cl2/c1-3-8(10)6-4-5-7(2)9/h4,6-8H,3,5H2,1-2H3.
What are the key properties of 2,6-dichlorooct-4-ene?
2,6-dichlorooct-4-ene has a molecular weight of 181.11 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichlorooct-4-ene is sourced from PubChem (CID 54432794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).