but-1-ene;(E)-but-2-ene

C8H16 — CID 6435908

IUPACbut-1-ene;(E)-but-2-ene
SMILESC/C=C/C.C=CCC
InChIInChI=1S/2C4H8/c2*1-3-4-2/h3-4H,1-2H3;3H,1,4H2,2H3/b4-3+;
InChIKeyWTOOLIQYCQJDBG-BJILWQEISA-N
MW112.22 g/mol
LogP3.16
Rot. Bonds1

About but-1-ene;(E)-but-2-ene

but-1-ene;(E)-but-2-ene (PubChem CID 6435908) has the molecular formula C8H16 and a molecular weight of 112.22 g/mol. Its IUPAC name is but-1-ene;(E)-but-2-ene.

Molecular Properties

Compound Namebut-1-ene;(E)-but-2-ene
PubChem CID6435908
Molecular FormulaC8H16
Molecular Weight112.22 g/mol
Exact Mass112.13
IUPAC Namebut-1-ene;(E)-but-2-ene
SMILESC/C=C/C.C=CCC
InChIInChI=1S/2C4H8/c2*1-3-4-2/h3-4H,1-2H3;3H,1,4H2,2H3/b4-3+;
InChIKeyWTOOLIQYCQJDBG-BJILWQEISA-N
XLogP3.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.22
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of but-1-ene;(E)-but-2-ene?
The IUPAC name of but-1-ene;(E)-but-2-ene (CID 6435908) is but-1-ene;(E)-but-2-ene.
What is the SMILES notation for but-1-ene;(E)-but-2-ene?
The canonical SMILES for but-1-ene;(E)-but-2-ene is C/C=C/C.C=CCC.
What is the InChIKey of but-1-ene;(E)-but-2-ene?
The InChIKey is WTOOLIQYCQJDBG-BJILWQEISA-N. The full InChI is InChI=1S/2C4H8/c2*1-3-4-2/h3-4H,1-2H3;3H,1,4H2,2H3/b4-3+;.
What are the key properties of but-1-ene;(E)-but-2-ene?
but-1-ene;(E)-but-2-ene has a molecular weight of 112.22 g/mol, XLogP of 3.16, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for but-1-ene;(E)-but-2-ene is sourced from PubChem (CID 6435908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).