2-chlorobut-2-ene

C4H6Cl+ — CID 86072754

IUPAC2-chlorobut-2-ene
SMILESC/[C+]=C(\C)Cl
InChIInChI=1S/C4H6Cl/c1-3-4(2)5/h1-2H3/q+1
InChIKeyZRCPEDLSAUUDRP-UHFFFAOYSA-N
MW89.54 g/mol
LogP1.95
Rot. Bonds

About 2-chlorobut-2-ene

2-chlorobut-2-ene (PubChem CID 86072754) has the molecular formula C4H6Cl+ and a molecular weight of 89.54 g/mol. Its IUPAC name is 2-chlorobut-2-ene.

Molecular Properties

Compound Name2-chlorobut-2-ene
PubChem CID86072754
Molecular FormulaC4H6Cl+
Molecular Weight89.54 g/mol
Exact Mass89.02
IUPAC Name2-chlorobut-2-ene
SMILESC/[C+]=C(\C)Cl
InChIInChI=1S/C4H6Cl/c1-3-4(2)5/h1-2H3/q+1
InChIKeyZRCPEDLSAUUDRP-UHFFFAOYSA-N
XLogP1.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50089.54
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chlorobut-2-ene?
The IUPAC name of 2-chlorobut-2-ene (CID 86072754) is 2-chlorobut-2-ene.
What is the SMILES notation for 2-chlorobut-2-ene?
The canonical SMILES for 2-chlorobut-2-ene is C/[C+]=C(\C)Cl.
What is the InChIKey of 2-chlorobut-2-ene?
The InChIKey is ZRCPEDLSAUUDRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6Cl/c1-3-4(2)5/h1-2H3/q+1.
What are the key properties of 2-chlorobut-2-ene?
2-chlorobut-2-ene has a molecular weight of 89.54 g/mol, XLogP of 1.95, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chlorobut-2-ene is sourced from PubChem (CID 86072754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).