(Z)-1,2,3,3,4-pentachlorobut-1-ene

C4H3Cl5 — CID 13307656

IUPAC(Z)-1,2,3,3,4-pentachlorobut-1-ene
SMILESCl/C=C(\Cl)C(Cl)(Cl)CCl
InChIInChI=1S/C4H3Cl5/c5-1-3(7)4(8,9)2-6/h1H,2H2/b3-1-
InChIKeyJVLILCTVEGXUHJ-IWQZZHSRSA-N
MW228.33 g/mol
LogP3.72
Rot. Bonds2

About (Z)-1,2,3,3,4-pentachlorobut-1-ene

(Z)-1,2,3,3,4-pentachlorobut-1-ene (PubChem CID 13307656) has the molecular formula C4H3Cl5 and a molecular weight of 228.33 g/mol. Its IUPAC name is (Z)-1,2,3,3,4-pentachlorobut-1-ene.

Molecular Properties

Compound Name(Z)-1,2,3,3,4-pentachlorobut-1-ene
PubChem CID13307656
Molecular FormulaC4H3Cl5
Molecular Weight228.33 g/mol
Exact Mass225.87
IUPAC Name(Z)-1,2,3,3,4-pentachlorobut-1-ene
SMILESCl/C=C(\Cl)C(Cl)(Cl)CCl
InChIInChI=1S/C4H3Cl5/c5-1-3(7)4(8,9)2-6/h1H,2H2/b3-1-
InChIKeyJVLILCTVEGXUHJ-IWQZZHSRSA-N
XLogP3.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.33
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-1,2,3,3,4-pentachlorobut-1-ene?
The IUPAC name of (Z)-1,2,3,3,4-pentachlorobut-1-ene (CID 13307656) is (Z)-1,2,3,3,4-pentachlorobut-1-ene.
What is the SMILES notation for (Z)-1,2,3,3,4-pentachlorobut-1-ene?
The canonical SMILES for (Z)-1,2,3,3,4-pentachlorobut-1-ene is Cl/C=C(\Cl)C(Cl)(Cl)CCl.
What is the InChIKey of (Z)-1,2,3,3,4-pentachlorobut-1-ene?
The InChIKey is JVLILCTVEGXUHJ-IWQZZHSRSA-N. The full InChI is InChI=1S/C4H3Cl5/c5-1-3(7)4(8,9)2-6/h1H,2H2/b3-1-.
What are the key properties of (Z)-1,2,3,3,4-pentachlorobut-1-ene?
(Z)-1,2,3,3,4-pentachlorobut-1-ene has a molecular weight of 228.33 g/mol, XLogP of 3.72, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1,2,3,3,4-pentachlorobut-1-ene is sourced from PubChem (CID 13307656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).