3-[2-[(E)-prop-1-enoxy]ethyl]oxolane

C9H16O2 — CID 176604648

IUPAC3-[2-[(E)-prop-1-enoxy]ethyl]oxolane
SMILESC/C=C/OCCC1CCOC1
InChIInChI=1S/C9H16O2/c1-2-5-10-6-3-9-4-7-11-8-9/h2,5,9H,3-4,6-8H2,1H3/b5-2+
InChIKeyGXRNZLSGXHRZGU-GORDUTHDSA-N
MW156.23 g/mol
LogP1.96
Rot. Bonds4

About 3-[2-[(E)-prop-1-enoxy]ethyl]oxolane

3-[2-[(E)-prop-1-enoxy]ethyl]oxolane (PubChem CID 176604648) has the molecular formula C9H16O2 and a molecular weight of 156.23 g/mol. Its IUPAC name is 3-[2-[(E)-prop-1-enoxy]ethyl]oxolane.

Molecular Properties

Compound Name3-[2-[(E)-prop-1-enoxy]ethyl]oxolane
PubChem CID176604648
Molecular FormulaC9H16O2
Molecular Weight156.23 g/mol
Exact Mass156.12
IUPAC Name3-[2-[(E)-prop-1-enoxy]ethyl]oxolane
SMILESC/C=C/OCCC1CCOC1
InChIInChI=1S/C9H16O2/c1-2-5-10-6-3-9-4-7-11-8-9/h2,5,9H,3-4,6-8H2,1H3/b5-2+
InChIKeyGXRNZLSGXHRZGU-GORDUTHDSA-N
XLogP1.96
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
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

3-methyl-3-[2-[(E)-prop-1-enoxy]ethyl]oxolane
CID 176603150
4-[[(E)-prop-1-enoxy]methyl]oxane
CID 176603447
3-Methyl-3-[2-(2-methylprop-1-enoxy)ethyl]oxolane
CID 176603506
4-[2-[(E)-prop-1-enoxy]ethyl]oxane
CID 176603628
3-[2-(2-Methylprop-1-enoxy)ethyl]oxolane
CID 176603768
3-[1-[(E)-prop-1-enoxy]ethyl]oxolane
CID 176604277
3-[3-[(E)-prop-1-enoxy]propyl]oxolane
CID 176605243
3-ethyl-3-[[(E)-prop-1-enoxy]methyl]oxolane
CID 176605430

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(E)-prop-1-enoxy]ethyl]oxolane?
The IUPAC name of 3-[2-[(E)-prop-1-enoxy]ethyl]oxolane (CID 176604648) is 3-[2-[(E)-prop-1-enoxy]ethyl]oxolane.
What is the SMILES notation for 3-[2-[(E)-prop-1-enoxy]ethyl]oxolane?
The canonical SMILES for 3-[2-[(E)-prop-1-enoxy]ethyl]oxolane is C/C=C/OCCC1CCOC1.
What is the InChIKey of 3-[2-[(E)-prop-1-enoxy]ethyl]oxolane?
The InChIKey is GXRNZLSGXHRZGU-GORDUTHDSA-N. The full InChI is InChI=1S/C9H16O2/c1-2-5-10-6-3-9-4-7-11-8-9/h2,5,9H,3-4,6-8H2,1H3/b5-2+.
What are the key properties of 3-[2-[(E)-prop-1-enoxy]ethyl]oxolane?
3-[2-[(E)-prop-1-enoxy]ethyl]oxolane has a molecular weight of 156.23 g/mol, XLogP of 1.96, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(E)-prop-1-enoxy]ethyl]oxolane is sourced from PubChem (CID 176604648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).