but-3-en-2-one;ethenoxyethene

C8H12O2 — CID 174835415

IUPACbut-3-en-2-one;ethenoxyethene
SMILESC=CC(C)=O.C=COC=C
InChIInChI=1S/2C4H6O/c1-3-5-4-2;1-3-4(2)5/h3-4H,1-2H2;3H,1H2,2H3
InChIKeyQSQJHDXFFMAIMN-UHFFFAOYSA-N
MW140.18 g/mol
LogP2.05
Rot. Bonds3

About but-3-en-2-one;ethenoxyethene

but-3-en-2-one;ethenoxyethene (PubChem CID 174835415) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is but-3-en-2-one;ethenoxyethene.

Molecular Properties

Compound Namebut-3-en-2-one;ethenoxyethene
PubChem CID174835415
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Namebut-3-en-2-one;ethenoxyethene
SMILESC=CC(C)=O.C=COC=C
InChIInChI=1S/2C4H6O/c1-3-5-4-2;1-3-4(2)5/h3-4H,1-2H2;3H,1H2,2H3
InChIKeyQSQJHDXFFMAIMN-UHFFFAOYSA-N
XLogP2.05
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

but-3-en-2-one;hydrochloride
CID 172746503
tris(but-3-en-2-one);tungsten
CID 54606302
ethenoxyethene;methyl prop-2-enoate
CID 159119515
but-3-en-2-one;ethenoxyethane
CID 18988720
hexakis(but-3-en-2-one);tris(3-methylbut-3-en-2-one)
CID 157464635
but-3-en-2-one;2,2-dimethylpropane;methane
CID 157101199
(E)-but-2-enedioic acid;ethenoxyethene
CID 87702747
but-3-en-2-one;methane;3-methylbut-3-en-2-one
CID 159829669
but-3-en-2-one;dimethyl-methylidene-oxo-λ6-sulfane
CID 159903560
ethenoxyethene;nitroxyl
CID 87932268
ethenoxyethene;prop-1-ene
CID 22912569
4-methoxyhexa-3,5-dien-2-one
CID 71435103

Frequently Asked Questions

What is the IUPAC name of but-3-en-2-one;ethenoxyethene?
The IUPAC name of but-3-en-2-one;ethenoxyethene (CID 174835415) is but-3-en-2-one;ethenoxyethene.
What is the SMILES notation for but-3-en-2-one;ethenoxyethene?
The canonical SMILES for but-3-en-2-one;ethenoxyethene is C=CC(C)=O.C=COC=C.
What is the InChIKey of but-3-en-2-one;ethenoxyethene?
The InChIKey is QSQJHDXFFMAIMN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H6O/c1-3-5-4-2;1-3-4(2)5/h3-4H,1-2H2;3H,1H2,2H3.
What are the key properties of but-3-en-2-one;ethenoxyethene?
but-3-en-2-one;ethenoxyethene has a molecular weight of 140.18 g/mol, XLogP of 2.05, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for but-3-en-2-one;ethenoxyethene is sourced from PubChem (CID 174835415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).