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

C9H16O2 — CID 176603322

IUPAC2-[2-[(E)-prop-1-enoxy]ethyl]oxolane
SMILESC/C=C/OCCC1CCCO1
InChIInChI=1S/C9H16O2/c1-2-6-10-8-5-9-4-3-7-11-9/h2,6,9H,3-5,7-8H2,1H3/b6-2+
InChIKeyULKVNWJIZREGID-QHHAFSJGSA-N
MW156.23 g/mol
LogP2.11
Rot. Bonds4

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

2-[2-[(E)-prop-1-enoxy]ethyl]oxolane (PubChem CID 176603322) has the molecular formula C9H16O2 and a molecular weight of 156.23 g/mol. Its IUPAC name is 2-[2-[(E)-prop-1-enoxy]ethyl]oxolane.

Molecular Properties

Compound Name2-[2-[(E)-prop-1-enoxy]ethyl]oxolane
PubChem CID176603322
Molecular FormulaC9H16O2
Molecular Weight156.23 g/mol
Exact Mass156.12
IUPAC Name2-[2-[(E)-prop-1-enoxy]ethyl]oxolane
SMILESC/C=C/OCCC1CCCO1
InChIInChI=1S/C9H16O2/c1-2-6-10-8-5-9-4-3-7-11-9/h2,6,9H,3-5,7-8H2,1H3/b6-2+
InChIKeyULKVNWJIZREGID-QHHAFSJGSA-N
XLogP2.11
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 ≤ 52.11
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-(3-Methoxyprop-2-enyl)oxolane
CID 70232598
(5S)-2-ethyl-5-methyloxolane;prop-1-ene
CID 153559484
2-[3-[(E)-prop-1-enoxy]propyl]oxolane
CID 176603037
2-methyl-2-[2-[(E)-prop-1-enoxy]ethyl]oxolane
CID 176603384
2-[1-[(E)-prop-1-enoxy]ethyl]oxolane
CID 176604239
2-[2-(2-Methylprop-1-enoxy)ethyl]oxolane
CID 176605254
2-[2-[(E)-prop-1-enoxy]ethyl]oxane
CID 176605307

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(E)-prop-1-enoxy]ethyl]oxolane?
The IUPAC name of 2-[2-[(E)-prop-1-enoxy]ethyl]oxolane (CID 176603322) is 2-[2-[(E)-prop-1-enoxy]ethyl]oxolane.
What is the SMILES notation for 2-[2-[(E)-prop-1-enoxy]ethyl]oxolane?
The canonical SMILES for 2-[2-[(E)-prop-1-enoxy]ethyl]oxolane is C/C=C/OCCC1CCCO1.
What is the InChIKey of 2-[2-[(E)-prop-1-enoxy]ethyl]oxolane?
The InChIKey is ULKVNWJIZREGID-QHHAFSJGSA-N. The full InChI is InChI=1S/C9H16O2/c1-2-6-10-8-5-9-4-3-7-11-9/h2,6,9H,3-5,7-8H2,1H3/b6-2+.
What are the key properties of 2-[2-[(E)-prop-1-enoxy]ethyl]oxolane?
2-[2-[(E)-prop-1-enoxy]ethyl]oxolane has a molecular weight of 156.23 g/mol, XLogP of 2.11, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(E)-prop-1-enoxy]ethyl]oxolane is sourced from PubChem (CID 176603322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).