ethenoxyethene;prop-1-ene

C7H12O — CID 22912569

IUPACethenoxyethene;prop-1-ene
SMILESC=CC.C=COC=C
InChIInChI=1S/C4H6O.C3H6/c1-3-5-4-2;1-3-2/h3-4H,1-2H2;3H,1H2,2H3
InChIKeyKIKUKZDVGNBBLA-UHFFFAOYSA-N
MW112.17 g/mol
LogP2.48
Rot. Bonds2

About ethenoxyethene;prop-1-ene

ethenoxyethene;prop-1-ene (PubChem CID 22912569) has the molecular formula C7H12O and a molecular weight of 112.17 g/mol. Its IUPAC name is ethenoxyethene;prop-1-ene.

Molecular Properties

Compound Nameethenoxyethene;prop-1-ene
PubChem CID22912569
Molecular FormulaC7H12O
Molecular Weight112.17 g/mol
Exact Mass112.09
IUPAC Nameethenoxyethene;prop-1-ene
SMILESC=CC.C=COC=C
InChIInChI=1S/C4H6O.C3H6/c1-3-5-4-2;1-3-2/h3-4H,1-2H2;3H,1H2,2H3
InChIKeyKIKUKZDVGNBBLA-UHFFFAOYSA-N
XLogP2.48
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.17
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

CID 159014150
CID 159014150
acetylene;ethenoxyethene
CID 175367616
prop-1-ene
CID 162178440
ethenoxyethene;silyloxysilane
CID 173176170
ethenoxyethene;nitroxyl
CID 87932268
ethenoxyethene;fluoroethene;hydrofluoride
CID 175297556
ethene;tetrakis(prop-1-ene)
CID 158667737
λ2-plumbane;prop-1-ene
CID 173103273
ethane;tetrakis(prop-1-ene)
CID 90918926
ethane;bis(prop-1-ene)
CID 91426438
azane;tris(prop-1-ene)
CID 162019717
azane;tris(prop-1-ene)
CID 173323353

Frequently Asked Questions

What is the IUPAC name of ethenoxyethene;prop-1-ene?
The IUPAC name of ethenoxyethene;prop-1-ene (CID 22912569) is ethenoxyethene;prop-1-ene.
What is the SMILES notation for ethenoxyethene;prop-1-ene?
The canonical SMILES for ethenoxyethene;prop-1-ene is C=CC.C=COC=C.
What is the InChIKey of ethenoxyethene;prop-1-ene?
The InChIKey is KIKUKZDVGNBBLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O.C3H6/c1-3-5-4-2;1-3-2/h3-4H,1-2H2;3H,1H2,2H3.
What are the key properties of ethenoxyethene;prop-1-ene?
ethenoxyethene;prop-1-ene has a molecular weight of 112.17 g/mol, XLogP of 2.48, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethenoxyethene;prop-1-ene is sourced from PubChem (CID 22912569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).