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

C7H12O2 — CID 176604404

IUPAC3-[(E)-prop-1-enoxy]oxolane
SMILESC/C=C/OC1CCOC1
InChIInChI=1S/C7H12O2/c1-2-4-9-7-3-5-8-6-7/h2,4,7H,3,5-6H2,1H3/b4-2+
InChIKeyYXYXPHPGYVHWPE-DUXPYHPUSA-N
MW128.17 g/mol
LogP1.33
Rot. Bonds2

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

3-[(E)-prop-1-enoxy]oxolane (PubChem CID 176604404) has the molecular formula C7H12O2 and a molecular weight of 128.17 g/mol. Its IUPAC name is 3-[(E)-prop-1-enoxy]oxolane.

Molecular Properties

Compound Name3-[(E)-prop-1-enoxy]oxolane
PubChem CID176604404
Molecular FormulaC7H12O2
Molecular Weight128.17 g/mol
Exact Mass128.08
IUPAC Name3-[(E)-prop-1-enoxy]oxolane
SMILESC/C=C/OC1CCOC1
InChIInChI=1S/C7H12O2/c1-2-4-9-7-3-5-8-6-7/h2,4,7H,3,5-6H2,1H3/b4-2+
InChIKeyYXYXPHPGYVHWPE-DUXPYHPUSA-N
XLogP1.33
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 51.33
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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Related Compounds

6-Methyl-2-(1-propenyloxymethyl)-2,3-dihydro-1,4-dioxine
CID 129742042
3,4-Bis(prop-1-enoxy)oxolane
CID 54398975
1-butoxy-2-[(Z)-prop-1-enoxy]butane
CID 88272789
3-Prop-1-en-2-yloxyoxolane
CID 141832510
3,4-Bis(prop-1-enoxy)oxolane;oxetane
CID 157255873
2-Methyl-3-(prop-1-enoxymethyl)oxirane
CID 161018068
3-(2-Methylprop-1-enoxy)oxolane
CID 176603502
2-[1-[(E)-prop-1-enoxy]ethyl]oxirane
CID 176604712
3-Ethenoxy-4-methoxyoxolane
CID 102248169

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-prop-1-enoxy]oxolane?
The IUPAC name of 3-[(E)-prop-1-enoxy]oxolane (CID 176604404) is 3-[(E)-prop-1-enoxy]oxolane.
What is the SMILES notation for 3-[(E)-prop-1-enoxy]oxolane?
The canonical SMILES for 3-[(E)-prop-1-enoxy]oxolane is C/C=C/OC1CCOC1.
What is the InChIKey of 3-[(E)-prop-1-enoxy]oxolane?
The InChIKey is YXYXPHPGYVHWPE-DUXPYHPUSA-N. The full InChI is InChI=1S/C7H12O2/c1-2-4-9-7-3-5-8-6-7/h2,4,7H,3,5-6H2,1H3/b4-2+.
What are the key properties of 3-[(E)-prop-1-enoxy]oxolane?
3-[(E)-prop-1-enoxy]oxolane has a molecular weight of 128.17 g/mol, XLogP of 1.33, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-prop-1-enoxy]oxolane is sourced from PubChem (CID 176604404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).