3-[3-[(E)-prop-1-enoxy]propyl]oxetane

C9H16O2 — CID 176603963

IUPAC3-[3-[(E)-prop-1-enoxy]propyl]oxetane
SMILESC/C=C/OCCCC1COC1
InChIInChI=1S/C9H16O2/c1-2-5-10-6-3-4-9-7-11-8-9/h2,5,9H,3-4,6-8H2,1H3/b5-2+
InChIKeyYBWPYUPZBYAYJW-GORDUTHDSA-N
MW156.23 g/mol
LogP1.96
Rot. Bonds5

About 3-[3-[(E)-prop-1-enoxy]propyl]oxetane

3-[3-[(E)-prop-1-enoxy]propyl]oxetane (PubChem CID 176603963) has the molecular formula C9H16O2 and a molecular weight of 156.23 g/mol. Its IUPAC name is 3-[3-[(E)-prop-1-enoxy]propyl]oxetane.

Molecular Properties

Compound Name3-[3-[(E)-prop-1-enoxy]propyl]oxetane
PubChem CID176603963
Molecular FormulaC9H16O2
Molecular Weight156.23 g/mol
Exact Mass156.12
IUPAC Name3-[3-[(E)-prop-1-enoxy]propyl]oxetane
SMILESC/C=C/OCCCC1COC1
InChIInChI=1S/C9H16O2/c1-2-5-10-6-3-4-9-7-11-8-9/h2,5,9H,3-4,6-8H2,1H3/b5-2+
InChIKeyYBWPYUPZBYAYJW-GORDUTHDSA-N
XLogP1.96
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-1-[(Z)-prop-1-enoxy]pentane
CID 153334877
3-ethyl-3-[3-[(E)-prop-1-enoxy]propyl]oxetane
CID 176603222
3-[3-(2-Methylprop-1-enoxy)propyl]oxetane
CID 176603225
3-[[(E)-prop-1-enoxy]methyl]oxane
CID 176603518

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(E)-prop-1-enoxy]propyl]oxetane?
The IUPAC name of 3-[3-[(E)-prop-1-enoxy]propyl]oxetane (CID 176603963) is 3-[3-[(E)-prop-1-enoxy]propyl]oxetane.
What is the SMILES notation for 3-[3-[(E)-prop-1-enoxy]propyl]oxetane?
The canonical SMILES for 3-[3-[(E)-prop-1-enoxy]propyl]oxetane is C/C=C/OCCCC1COC1.
What is the InChIKey of 3-[3-[(E)-prop-1-enoxy]propyl]oxetane?
The InChIKey is YBWPYUPZBYAYJW-GORDUTHDSA-N. The full InChI is InChI=1S/C9H16O2/c1-2-5-10-6-3-4-9-7-11-8-9/h2,5,9H,3-4,6-8H2,1H3/b5-2+.
What are the key properties of 3-[3-[(E)-prop-1-enoxy]propyl]oxetane?
3-[3-[(E)-prop-1-enoxy]propyl]oxetane has a molecular weight of 156.23 g/mol, XLogP of 1.96, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(E)-prop-1-enoxy]propyl]oxetane is sourced from PubChem (CID 176603963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).