3-but-2-enoxy-3-propyloxetane

C10H18O2 — CID 175043072

IUPAC3-but-2-enoxy-3-propyloxetane
SMILESCC=CCOC1(CCC)COC1
InChIInChI=1S/C10H18O2/c1-3-5-7-12-10(6-4-2)8-11-9-10/h3,5H,4,6-9H2,1-2H3
InChIKeyLTTUELLSLGNDBR-UHFFFAOYSA-N
MW170.25 g/mol
LogP2.15
Rot. Bonds5

About 3-but-2-enoxy-3-propyloxetane

3-but-2-enoxy-3-propyloxetane (PubChem CID 175043072) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 3-but-2-enoxy-3-propyloxetane.

Molecular Properties

Compound Name3-but-2-enoxy-3-propyloxetane
PubChem CID175043072
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name3-but-2-enoxy-3-propyloxetane
SMILESCC=CCOC1(CCC)COC1
InChIInChI=1S/C10H18O2/c1-3-5-7-12-10(6-4-2)8-11-9-10/h3,5H,4,6-9H2,1-2H3
InChIKeyLTTUELLSLGNDBR-UHFFFAOYSA-N
XLogP2.15
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-but-2-enoxy-3-propyloxetane?
The IUPAC name of 3-but-2-enoxy-3-propyloxetane (CID 175043072) is 3-but-2-enoxy-3-propyloxetane.
What is the SMILES notation for 3-but-2-enoxy-3-propyloxetane?
The canonical SMILES for 3-but-2-enoxy-3-propyloxetane is CC=CCOC1(CCC)COC1.
What is the InChIKey of 3-but-2-enoxy-3-propyloxetane?
The InChIKey is LTTUELLSLGNDBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-3-5-7-12-10(6-4-2)8-11-9-10/h3,5H,4,6-9H2,1-2H3.
What are the key properties of 3-but-2-enoxy-3-propyloxetane?
3-but-2-enoxy-3-propyloxetane has a molecular weight of 170.25 g/mol, XLogP of 2.15, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-but-2-enoxy-3-propyloxetane is sourced from PubChem (CID 175043072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).