2-methylidene-3-(propoxymethyl)oxirane

C7H12O2 — CID 90091846

IUPAC2-methylidene-3-(propoxymethyl)oxirane
SMILESC=C1OC1COCCC
InChIInChI=1S/C7H12O2/c1-3-4-8-5-7-6(2)9-7/h7H,2-5H2,1H3
InChIKeySRHWUBYNECLHTM-UHFFFAOYSA-N
MW128.17 g/mol
LogP1.33
Rot. Bonds4

About 2-methylidene-3-(propoxymethyl)oxirane

2-methylidene-3-(propoxymethyl)oxirane (PubChem CID 90091846) has the molecular formula C7H12O2 and a molecular weight of 128.17 g/mol. Its IUPAC name is 2-methylidene-3-(propoxymethyl)oxirane.

Molecular Properties

Compound Name2-methylidene-3-(propoxymethyl)oxirane
PubChem CID90091846
Molecular FormulaC7H12O2
Molecular Weight128.17 g/mol
Exact Mass128.08
IUPAC Name2-methylidene-3-(propoxymethyl)oxirane
SMILESC=C1OC1COCCC
InChIInChI=1S/C7H12O2/c1-3-4-8-5-7-6(2)9-7/h7H,2-5H2,1H3
InChIKeySRHWUBYNECLHTM-UHFFFAOYSA-N
XLogP1.33
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methylidene-3-(propoxymethyl)oxirane?
The IUPAC name of 2-methylidene-3-(propoxymethyl)oxirane (CID 90091846) is 2-methylidene-3-(propoxymethyl)oxirane.
What is the SMILES notation for 2-methylidene-3-(propoxymethyl)oxirane?
The canonical SMILES for 2-methylidene-3-(propoxymethyl)oxirane is C=C1OC1COCCC.
What is the InChIKey of 2-methylidene-3-(propoxymethyl)oxirane?
The InChIKey is SRHWUBYNECLHTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O2/c1-3-4-8-5-7-6(2)9-7/h7H,2-5H2,1H3.
What are the key properties of 2-methylidene-3-(propoxymethyl)oxirane?
2-methylidene-3-(propoxymethyl)oxirane has a molecular weight of 128.17 g/mol, XLogP of 1.33, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-3-(propoxymethyl)oxirane is sourced from PubChem (CID 90091846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).