ethene;1,2,4-trichloro-3-(chloromethyl)but-2-ene

C7H10Cl4 — CID 88687060

IUPACethene;1,2,4-trichloro-3-(chloromethyl)but-2-ene
SMILESC=C.ClCC(Cl)=C(CCl)CCl
InChIInChI=1S/C5H6Cl4.C2H4/c6-1-4(2-7)5(9)3-8;1-2/h1-3H2;1-2H2
InChIKeyUZXRXDAKIKJTDY-UHFFFAOYSA-N
MW235.97 g/mol
LogP4.00
Rot. Bonds3

About ethene;1,2,4-trichloro-3-(chloromethyl)but-2-ene

ethene;1,2,4-trichloro-3-(chloromethyl)but-2-ene (PubChem CID 88687060) has the molecular formula C7H10Cl4 and a molecular weight of 235.97 g/mol. Its IUPAC name is ethene;1,2,4-trichloro-3-(chloromethyl)but-2-ene.

Molecular Properties

Compound Nameethene;1,2,4-trichloro-3-(chloromethyl)but-2-ene
PubChem CID88687060
Molecular FormulaC7H10Cl4
Molecular Weight235.97 g/mol
Exact Mass233.95
IUPAC Nameethene;1,2,4-trichloro-3-(chloromethyl)but-2-ene
SMILESC=C.ClCC(Cl)=C(CCl)CCl
InChIInChI=1S/C5H6Cl4.C2H4/c6-1-4(2-7)5(9)3-8;1-2/h1-3H2;1-2H2
InChIKeyUZXRXDAKIKJTDY-UHFFFAOYSA-N
XLogP4.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.97
LogP ≤ 54.00
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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Frequently Asked Questions

What is the IUPAC name of ethene;1,2,4-trichloro-3-(chloromethyl)but-2-ene?
The IUPAC name of ethene;1,2,4-trichloro-3-(chloromethyl)but-2-ene (CID 88687060) is ethene;1,2,4-trichloro-3-(chloromethyl)but-2-ene.
What is the SMILES notation for ethene;1,2,4-trichloro-3-(chloromethyl)but-2-ene?
The canonical SMILES for ethene;1,2,4-trichloro-3-(chloromethyl)but-2-ene is C=C.ClCC(Cl)=C(CCl)CCl.
What is the InChIKey of ethene;1,2,4-trichloro-3-(chloromethyl)but-2-ene?
The InChIKey is UZXRXDAKIKJTDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6Cl4.C2H4/c6-1-4(2-7)5(9)3-8;1-2/h1-3H2;1-2H2.
What are the key properties of ethene;1,2,4-trichloro-3-(chloromethyl)but-2-ene?
ethene;1,2,4-trichloro-3-(chloromethyl)but-2-ene has a molecular weight of 235.97 g/mol, XLogP of 4.00, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;1,2,4-trichloro-3-(chloromethyl)but-2-ene is sourced from PubChem (CID 88687060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).