3-pent-1-enoxyoxetane

C8H14O2 — CID 70631309

IUPAC3-pent-1-enoxyoxetane
SMILESCCCC=COC1COC1
InChIInChI=1S/C8H14O2/c1-2-3-4-5-10-8-6-9-7-8/h4-5,8H,2-3,6-7H2,1H3
InChIKeyQPWXPGLSMYNWEO-UHFFFAOYSA-N
MW142.20 g/mol
LogP1.72
Rot. Bonds4

About 3-pent-1-enoxyoxetane

3-pent-1-enoxyoxetane (PubChem CID 70631309) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is 3-pent-1-enoxyoxetane.

Molecular Properties

Compound Name3-pent-1-enoxyoxetane
PubChem CID70631309
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name3-pent-1-enoxyoxetane
SMILESCCCC=COC1COC1
InChIInChI=1S/C8H14O2/c1-2-3-4-5-10-8-6-9-7-8/h4-5,8H,2-3,6-7H2,1H3
InChIKeyQPWXPGLSMYNWEO-UHFFFAOYSA-N
XLogP1.72
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-pent-1-enoxyoxetane?
The IUPAC name of 3-pent-1-enoxyoxetane (CID 70631309) is 3-pent-1-enoxyoxetane.
What is the SMILES notation for 3-pent-1-enoxyoxetane?
The canonical SMILES for 3-pent-1-enoxyoxetane is CCCC=COC1COC1.
What is the InChIKey of 3-pent-1-enoxyoxetane?
The InChIKey is QPWXPGLSMYNWEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2/c1-2-3-4-5-10-8-6-9-7-8/h4-5,8H,2-3,6-7H2,1H3.
What are the key properties of 3-pent-1-enoxyoxetane?
3-pent-1-enoxyoxetane has a molecular weight of 142.20 g/mol, XLogP of 1.72, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pent-1-enoxyoxetane is sourced from PubChem (CID 70631309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).