but-1-ene;ethene

C8H16 — CID 19017343

IUPACbut-1-ene;ethene
SMILESC=C.C=C.C=CCC
InChIInChI=1S/C4H8.2C2H4/c1-3-4-2;2*1-2/h3H,1,4H2,2H3;2*1-2H2
InChIKeyCVIGVIRPHDSILR-UHFFFAOYSA-N
MW112.22 g/mol
LogP3.19
Rot. Bonds1

About but-1-ene;ethene

but-1-ene;ethene (PubChem CID 19017343) has the molecular formula C8H16 and a molecular weight of 112.22 g/mol. Its IUPAC name is but-1-ene;ethene.

Molecular Properties

Compound Namebut-1-ene;ethene
PubChem CID19017343
Molecular FormulaC8H16
Molecular Weight112.22 g/mol
Exact Mass112.13
IUPAC Namebut-1-ene;ethene
SMILESC=C.C=C.C=CCC
InChIInChI=1S/C4H8.2C2H4/c1-3-4-2;2*1-2/h3H,1,4H2,2H3;2*1-2H2
InChIKeyCVIGVIRPHDSILR-UHFFFAOYSA-N
XLogP3.19
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 ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

but-1-ene;ethane;ethene;propane
CID 144521241
but-1-ene;dihydrofluoride
CID 175726295
but-1-ene;methanethiol
CID 174505705
butane;bis(but-1-ene)
CID 160596310
but-1-ene;formonitrile
CID 175774246
but-1-ene;ethene;pent-1-ene
CID 140771113
but-1-ene;silyloxysilane
CID 174887933
but-1-ene;but-2-ene;prop-1-ene
CID 160918287
but-1-ene;2,3-dimethylbut-2-ene
CID 144536519
buta-1,3-diene;but-1-ene;prop-1-ene
CID 161064943
but-1-ene;2-methylbutane
CID 142013560
but-1-ene;ethane;(3Z)-hexa-1,3,5-triene
CID 144520758

Frequently Asked Questions

What is the IUPAC name of but-1-ene;ethene?
The IUPAC name of but-1-ene;ethene (CID 19017343) is but-1-ene;ethene.
What is the SMILES notation for but-1-ene;ethene?
The canonical SMILES for but-1-ene;ethene is C=C.C=C.C=CCC.
What is the InChIKey of but-1-ene;ethene?
The InChIKey is CVIGVIRPHDSILR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8.2C2H4/c1-3-4-2;2*1-2/h3H,1,4H2,2H3;2*1-2H2.
What are the key properties of but-1-ene;ethene?
but-1-ene;ethene has a molecular weight of 112.22 g/mol, XLogP of 3.19, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for but-1-ene;ethene is sourced from PubChem (CID 19017343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).