but-3-en-2-one;ethenoxyethane

C8H14O2 — CID 18988720

IUPACbut-3-en-2-one;ethenoxyethane
SMILESC=CC(C)=O.C=COCC
InChIInChI=1S/C4H8O.C4H6O/c1-3-5-4-2;1-3-4(2)5/h3H,1,4H2,2H3;3H,1H2,2H3
InChIKeyNMPBDTTVYBNGPB-UHFFFAOYSA-N
MW142.20 g/mol
LogP1.93
Rot. Bonds3

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

but-3-en-2-one;ethenoxyethane (PubChem CID 18988720) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is but-3-en-2-one;ethenoxyethane.

Molecular Properties

Compound Namebut-3-en-2-one;ethenoxyethane
PubChem CID18988720
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Namebut-3-en-2-one;ethenoxyethane
SMILESC=CC(C)=O.C=COCC
InChIInChI=1S/C4H8O.C4H6O/c1-3-5-4-2;1-3-4(2)5/h3H,1,4H2,2H3;3H,1H2,2H3
InChIKeyNMPBDTTVYBNGPB-UHFFFAOYSA-N
XLogP1.93
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.93
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

(Z)-but-2-enedioic acid;ethenoxyethane
CID 87901809
but-3-en-2-one;ethenoxyethene
CID 174835415
tris(but-3-en-2-one);tungsten
CID 54606302
but-3-en-2-one;hydrochloride
CID 172746503
ethenoxyethane;propane-1,2-diol
CID 87233318
4-ethenoxybutan-1-ol;ethenoxyethane
CID 175259302
ethenoxymethyl acetate
CID 54090433
but-3-en-2-one;ethyl 2-(bromomethyl)prop-2-enoate
CID 118625551
ethenyl (E)-3-ethoxyprop-2-enoate
CID 142695290
but-3-en-2-one;2,2-dimethylpropane;methane
CID 157101199
hexakis(but-3-en-2-one);tris(3-methylbut-3-en-2-one)
CID 157464635
acetic acid;2-ethenoxyethanol
CID 71400985

Frequently Asked Questions

What is the IUPAC name of but-3-en-2-one;ethenoxyethane?
The IUPAC name of but-3-en-2-one;ethenoxyethane (CID 18988720) is but-3-en-2-one;ethenoxyethane.
What is the SMILES notation for but-3-en-2-one;ethenoxyethane?
The canonical SMILES for but-3-en-2-one;ethenoxyethane is C=CC(C)=O.C=COCC.
What is the InChIKey of but-3-en-2-one;ethenoxyethane?
The InChIKey is NMPBDTTVYBNGPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O.C4H6O/c1-3-5-4-2;1-3-4(2)5/h3H,1,4H2,2H3;3H,1H2,2H3.
What are the key properties of but-3-en-2-one;ethenoxyethane?
but-3-en-2-one;ethenoxyethane has a molecular weight of 142.20 g/mol, XLogP of 1.93, 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;ethenoxyethane is sourced from PubChem (CID 18988720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).