ethenoxyethene;2-methyloxirane

C7H12O2 — CID 87196463

IUPACethenoxyethene;2-methyloxirane
SMILESC=COC=C.CC1CO1
InChIInChI=1S/C4H6O.C3H6O/c1-3-5-4-2;1-3-2-4-3/h3-4H,1-2H2;3H,2H2,1H3
InChIKeyZCMUISHBQPGEFN-UHFFFAOYSA-N
MW128.17 g/mol
LogP1.70
Rot. Bonds2

About ethenoxyethene;2-methyloxirane

ethenoxyethene;2-methyloxirane (PubChem CID 87196463) has the molecular formula C7H12O2 and a molecular weight of 128.17 g/mol. Its IUPAC name is ethenoxyethene;2-methyloxirane.

Molecular Properties

Compound Nameethenoxyethene;2-methyloxirane
PubChem CID87196463
Molecular FormulaC7H12O2
Molecular Weight128.17 g/mol
Exact Mass128.08
IUPAC Nameethenoxyethene;2-methyloxirane
SMILESC=COC=C.CC1CO1
InChIInChI=1S/C4H6O.C3H6O/c1-3-5-4-2;1-3-2-4-3/h3-4H,1-2H2;3H,2H2,1H3
InChIKeyZCMUISHBQPGEFN-UHFFFAOYSA-N
XLogP1.70
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethenoxyethene;2-methyloxirane?
The IUPAC name of ethenoxyethene;2-methyloxirane (CID 87196463) is ethenoxyethene;2-methyloxirane.
What is the SMILES notation for ethenoxyethene;2-methyloxirane?
The canonical SMILES for ethenoxyethene;2-methyloxirane is C=COC=C.CC1CO1.
What is the InChIKey of ethenoxyethene;2-methyloxirane?
The InChIKey is ZCMUISHBQPGEFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O.C3H6O/c1-3-5-4-2;1-3-2-4-3/h3-4H,1-2H2;3H,2H2,1H3.
What are the key properties of ethenoxyethene;2-methyloxirane?
ethenoxyethene;2-methyloxirane has a molecular weight of 128.17 g/mol, XLogP of 1.70, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethenoxyethene;2-methyloxirane is sourced from PubChem (CID 87196463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).