but-1-ene;2-(oxiran-2-ylmethoxymethyl)oxirane

C10H18O3 — CID 87391943

IUPACbut-1-ene;2-(oxiran-2-ylmethoxymethyl)oxirane
SMILESC(OCC1CO1)C1CO1.C=CCC
InChIInChI=1S/C6H10O3.C4H8/c1(5-3-8-5)7-2-6-4-9-6;1-3-4-2/h5-6H,1-4H2;3H,1,4H2,2H3
InChIKeyOXXDYIODPJSOMH-UHFFFAOYSA-N
MW186.25 g/mol
LogP1.38
Rot. Bonds5

About but-1-ene;2-(oxiran-2-ylmethoxymethyl)oxirane

but-1-ene;2-(oxiran-2-ylmethoxymethyl)oxirane (PubChem CID 87391943) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is but-1-ene;2-(oxiran-2-ylmethoxymethyl)oxirane.

Molecular Properties

Compound Namebut-1-ene;2-(oxiran-2-ylmethoxymethyl)oxirane
PubChem CID87391943
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Namebut-1-ene;2-(oxiran-2-ylmethoxymethyl)oxirane
SMILESC(OCC1CO1)C1CO1.C=CCC
InChIInChI=1S/C6H10O3.C4H8/c1(5-3-8-5)7-2-6-4-9-6;1-3-4-2/h5-6H,1-4H2;3H,1,4H2,2H3
InChIKeyOXXDYIODPJSOMH-UHFFFAOYSA-N
XLogP1.38
TPSA34.29 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of but-1-ene;2-(oxiran-2-ylmethoxymethyl)oxirane?
The IUPAC name of but-1-ene;2-(oxiran-2-ylmethoxymethyl)oxirane (CID 87391943) is but-1-ene;2-(oxiran-2-ylmethoxymethyl)oxirane.
What is the SMILES notation for but-1-ene;2-(oxiran-2-ylmethoxymethyl)oxirane?
The canonical SMILES for but-1-ene;2-(oxiran-2-ylmethoxymethyl)oxirane is C(OCC1CO1)C1CO1.C=CCC.
What is the InChIKey of but-1-ene;2-(oxiran-2-ylmethoxymethyl)oxirane?
The InChIKey is OXXDYIODPJSOMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O3.C4H8/c1(5-3-8-5)7-2-6-4-9-6;1-3-4-2/h5-6H,1-4H2;3H,1,4H2,2H3.
What are the key properties of but-1-ene;2-(oxiran-2-ylmethoxymethyl)oxirane?
but-1-ene;2-(oxiran-2-ylmethoxymethyl)oxirane has a molecular weight of 186.25 g/mol, XLogP of 1.38, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for but-1-ene;2-(oxiran-2-ylmethoxymethyl)oxirane is sourced from PubChem (CID 87391943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).