(E)-1-chlorobut-1-ene

C4H7Cl — CID 5463507

IUPAC(E)-1-chlorobut-1-ene
SMILESCC/C=C/Cl
InChIInChI=1S/C4H7Cl/c1-2-3-4-5/h3-4H,2H2,1H3/b4-3+
InChIKeyDUDKKPVINWLFBI-ONEGZZNKSA-N
MW90.55 g/mol
LogP2.15
Rot. Bonds1

About (E)-1-chlorobut-1-ene

(E)-1-chlorobut-1-ene (PubChem CID 5463507) has the molecular formula C4H7Cl and a molecular weight of 90.55 g/mol. Its IUPAC name is (E)-1-chlorobut-1-ene.

Molecular Properties

Compound Name(E)-1-chlorobut-1-ene
PubChem CID5463507
Molecular FormulaC4H7Cl
Molecular Weight90.55 g/mol
Exact Mass90.02
IUPAC Name(E)-1-chlorobut-1-ene
SMILESCC/C=C/Cl
InChIInChI=1S/C4H7Cl/c1-2-3-4-5/h3-4H,2H2,1H3/b4-3+
InChIKeyDUDKKPVINWLFBI-ONEGZZNKSA-N
XLogP2.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50090.55
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (E)-1-chlorobut-1-ene?
The IUPAC name of (E)-1-chlorobut-1-ene (CID 5463507) is (E)-1-chlorobut-1-ene.
What is the SMILES notation for (E)-1-chlorobut-1-ene?
The canonical SMILES for (E)-1-chlorobut-1-ene is CC/C=C/Cl.
What is the InChIKey of (E)-1-chlorobut-1-ene?
The InChIKey is DUDKKPVINWLFBI-ONEGZZNKSA-N. The full InChI is InChI=1S/C4H7Cl/c1-2-3-4-5/h3-4H,2H2,1H3/b4-3+.
What are the key properties of (E)-1-chlorobut-1-ene?
(E)-1-chlorobut-1-ene has a molecular weight of 90.55 g/mol, XLogP of 2.15, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-chlorobut-1-ene is sourced from PubChem (CID 5463507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).