2-(propoxymethyl)oxirene

C6H10O2 — CID 141065304

IUPAC2-(propoxymethyl)oxirene
SMILESCCCOCC1=CO1
InChIInChI=1S/C6H10O2/c1-2-3-7-4-6-5-8-6/h5H,2-4H2,1H3
InChIKeyIJTMKECKJHZHBX-UHFFFAOYSA-N
MW114.14 g/mol
LogP1.28
Rot. Bonds4

About 2-(propoxymethyl)oxirene

2-(propoxymethyl)oxirene (PubChem CID 141065304) has the molecular formula C6H10O2 and a molecular weight of 114.14 g/mol. Its IUPAC name is 2-(propoxymethyl)oxirene.

Molecular Properties

Compound Name2-(propoxymethyl)oxirene
PubChem CID141065304
Molecular FormulaC6H10O2
Molecular Weight114.14 g/mol
Exact Mass114.07
IUPAC Name2-(propoxymethyl)oxirene
SMILESCCCOCC1=CO1
InChIInChI=1S/C6H10O2/c1-2-3-7-4-6-5-8-6/h5H,2-4H2,1H3
InChIKeyIJTMKECKJHZHBX-UHFFFAOYSA-N
XLogP1.28
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.14
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(propoxymethyl)oxirene?
The IUPAC name of 2-(propoxymethyl)oxirene (CID 141065304) is 2-(propoxymethyl)oxirene.
What is the SMILES notation for 2-(propoxymethyl)oxirene?
The canonical SMILES for 2-(propoxymethyl)oxirene is CCCOCC1=CO1.
What is the InChIKey of 2-(propoxymethyl)oxirene?
The InChIKey is IJTMKECKJHZHBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O2/c1-2-3-7-4-6-5-8-6/h5H,2-4H2,1H3.
What are the key properties of 2-(propoxymethyl)oxirene?
2-(propoxymethyl)oxirene has a molecular weight of 114.14 g/mol, XLogP of 1.28, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propoxymethyl)oxirene is sourced from PubChem (CID 141065304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).