1,3,4-trichlorooct-2-ene

C8H13Cl3 — CID 174758943

IUPAC1,3,4-trichlorooct-2-ene
SMILESCCCCC(Cl)C(Cl)=CCCl
InChIInChI=1S/C8H13Cl3/c1-2-3-4-7(10)8(11)5-6-9/h5,7H,2-4,6H2,1H3
InChIKeySWSLFHKILXUVLN-UHFFFAOYSA-N
MW215.55 g/mol
LogP4.15
Rot. Bonds5

About 1,3,4-trichlorooct-2-ene

1,3,4-trichlorooct-2-ene (PubChem CID 174758943) has the molecular formula C8H13Cl3 and a molecular weight of 215.55 g/mol. Its IUPAC name is 1,3,4-trichlorooct-2-ene.

Molecular Properties

Compound Name1,3,4-trichlorooct-2-ene
PubChem CID174758943
Molecular FormulaC8H13Cl3
Molecular Weight215.55 g/mol
Exact Mass214.01
IUPAC Name1,3,4-trichlorooct-2-ene
SMILESCCCCC(Cl)C(Cl)=CCCl
InChIInChI=1S/C8H13Cl3/c1-2-3-4-7(10)8(11)5-6-9/h5,7H,2-4,6H2,1H3
InChIKeySWSLFHKILXUVLN-UHFFFAOYSA-N
XLogP4.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.55
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

5,8-dichlorododecane-6,7-dione
CID 140986134
(4R)-1-bromo-1,2,4-trichlorooct-1-en-3-one
CID 162921656
(2R)-2-chlorohexanoic acid
CID 12732681
1,1-dichloropentane;gallane
CID 174452216
(Z)-3,5-dichloro-2-methylpent-3-enal
CID 167249097
2-chlorohexanethioamide
CID 174768510
2-chlorooctadecanoyl chloride
CID 20512617
1,5-dichlorononane
CID 57182000
(5S,6R)-5-chloro-6-iododecane
CID 15584088
2,3-dichloronon-1-ene-1,1-diol
CID 118275967
(E)-5,8-dichlorododec-6-ene
CID 87576727
5-chlorononane;phosphoric acid
CID 88768187

Frequently Asked Questions

What is the IUPAC name of 1,3,4-trichlorooct-2-ene?
The IUPAC name of 1,3,4-trichlorooct-2-ene (CID 174758943) is 1,3,4-trichlorooct-2-ene.
What is the SMILES notation for 1,3,4-trichlorooct-2-ene?
The canonical SMILES for 1,3,4-trichlorooct-2-ene is CCCCC(Cl)C(Cl)=CCCl.
What is the InChIKey of 1,3,4-trichlorooct-2-ene?
The InChIKey is SWSLFHKILXUVLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13Cl3/c1-2-3-4-7(10)8(11)5-6-9/h5,7H,2-4,6H2,1H3.
What are the key properties of 1,3,4-trichlorooct-2-ene?
1,3,4-trichlorooct-2-ene has a molecular weight of 215.55 g/mol, XLogP of 4.15, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,4-trichlorooct-2-ene is sourced from PubChem (CID 174758943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).