methoxyethene;2-(prop-2-enoxymethyl)oxirane

C9H16O3 — CID 174894893

IUPACmethoxyethene;2-(prop-2-enoxymethyl)oxirane
SMILESC=CCOCC1CO1.C=COC
InChIInChI=1S/C6H10O2.C3H6O/c1-2-3-7-4-6-5-8-6;1-3-4-2/h2,6H,1,3-5H2;3H,1H2,2H3
InChIKeyYTXYXFKUAODNHO-UHFFFAOYSA-N
MW172.22 g/mol
LogP1.36
Rot. Bonds5

About methoxyethene;2-(prop-2-enoxymethyl)oxirane

methoxyethene;2-(prop-2-enoxymethyl)oxirane (PubChem CID 174894893) has the molecular formula C9H16O3 and a molecular weight of 172.22 g/mol. Its IUPAC name is methoxyethene;2-(prop-2-enoxymethyl)oxirane.

Molecular Properties

Compound Namemethoxyethene;2-(prop-2-enoxymethyl)oxirane
PubChem CID174894893
Molecular FormulaC9H16O3
Molecular Weight172.22 g/mol
Exact Mass172.11
IUPAC Namemethoxyethene;2-(prop-2-enoxymethyl)oxirane
SMILESC=CCOCC1CO1.C=COC
InChIInChI=1S/C6H10O2.C3H6O/c1-2-3-7-4-6-5-8-6;1-3-4-2/h2,6H,1,3-5H2;3H,1H2,2H3
InChIKeyYTXYXFKUAODNHO-UHFFFAOYSA-N
XLogP1.36
TPSA30.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.22
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methoxysilane;2-(prop-2-enoxymethyl)oxirane
CID 173273777
bis(2-(prop-2-enoxymethyl)oxirane);hydrate
CID 87216937
ethene;2-methyloxirane;2-(prop-2-enoxymethyl)oxirane
CID 174606995
2-chloro-3-methyloxirane;2-methyloxirane;2-(prop-2-enoxymethyl)oxirane
CID 174454485
2-(4-prop-2-enoxybutoxymethyl)oxirane
CID 86229247
2-(prop-2-enoxymethyl)oxirane;toluene
CID 174817749
but-3-enoic acid;2-(prop-2-enoxymethyl)oxirane
CID 174888667
benzene;ethane;2-(ethoxymethyl)oxirane;3-ethoxyprop-1-ene;methoxymethane;propane
CID 90719944
ethene;2-(oxiran-2-ylmethoxymethyl)oxirane;prop-1-ene
CID 23018396
2-(prop-2-enoxymethyl)-1,4,7,10,13,16-hexaoxacyclooctadecane
CID 13070592
2-chloro-3-methyloxirane;2-methyloxirane;oxirane;2-(prop-2-enoxymethyl)oxirane
CID 174454487
2-(penta-2,4-dienoxymethyl)oxirane
CID 141258620

Frequently Asked Questions

What is the IUPAC name of methoxyethene;2-(prop-2-enoxymethyl)oxirane?
The IUPAC name of methoxyethene;2-(prop-2-enoxymethyl)oxirane (CID 174894893) is methoxyethene;2-(prop-2-enoxymethyl)oxirane.
What is the SMILES notation for methoxyethene;2-(prop-2-enoxymethyl)oxirane?
The canonical SMILES for methoxyethene;2-(prop-2-enoxymethyl)oxirane is C=CCOCC1CO1.C=COC.
What is the InChIKey of methoxyethene;2-(prop-2-enoxymethyl)oxirane?
The InChIKey is YTXYXFKUAODNHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O2.C3H6O/c1-2-3-7-4-6-5-8-6;1-3-4-2/h2,6H,1,3-5H2;3H,1H2,2H3.
What are the key properties of methoxyethene;2-(prop-2-enoxymethyl)oxirane?
methoxyethene;2-(prop-2-enoxymethyl)oxirane has a molecular weight of 172.22 g/mol, XLogP of 1.36, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methoxyethene;2-(prop-2-enoxymethyl)oxirane is sourced from PubChem (CID 174894893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).