2-[(E)-but-2-enoxy]-1-(oxolan-3-yl)ethanone

C10H16O3 — CID 104752057

IUPAC2-[(E)-but-2-enoxy]-1-(oxolan-3-yl)ethanone
SMILESC/C=C/COCC(=O)C1CCOC1
InChIInChI=1S/C10H16O3/c1-2-3-5-12-8-10(11)9-4-6-13-7-9/h2-3,9H,4-8H2,1H3/b3-2+
InChIKeyFPZOCZMUHNWUGN-NSCUHMNNSA-N
MW184.23 g/mol
LogP1.18
Rot. Bonds5

About 2-[(E)-but-2-enoxy]-1-(oxolan-3-yl)ethanone

2-[(E)-but-2-enoxy]-1-(oxolan-3-yl)ethanone (PubChem CID 104752057) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is 2-[(E)-but-2-enoxy]-1-(oxolan-3-yl)ethanone.

Molecular Properties

Compound Name2-[(E)-but-2-enoxy]-1-(oxolan-3-yl)ethanone
PubChem CID104752057
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name2-[(E)-but-2-enoxy]-1-(oxolan-3-yl)ethanone
SMILESC/C=C/COCC(=O)C1CCOC1
InChIInChI=1S/C10H16O3/c1-2-3-5-12-8-10(11)9-4-6-13-7-9/h2-3,9H,4-8H2,1H3/b3-2+
InChIKeyFPZOCZMUHNWUGN-NSCUHMNNSA-N
XLogP1.18
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-But-2-enoxy-3-methylpentan-2-one
CID 80447438
1-(Oxolan-3-yl)-2-prop-2-enoxyethanone
CID 104751923

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-but-2-enoxy]-1-(oxolan-3-yl)ethanone?
The IUPAC name of 2-[(E)-but-2-enoxy]-1-(oxolan-3-yl)ethanone (CID 104752057) is 2-[(E)-but-2-enoxy]-1-(oxolan-3-yl)ethanone.
What is the SMILES notation for 2-[(E)-but-2-enoxy]-1-(oxolan-3-yl)ethanone?
The canonical SMILES for 2-[(E)-but-2-enoxy]-1-(oxolan-3-yl)ethanone is C/C=C/COCC(=O)C1CCOC1.
What is the InChIKey of 2-[(E)-but-2-enoxy]-1-(oxolan-3-yl)ethanone?
The InChIKey is FPZOCZMUHNWUGN-NSCUHMNNSA-N. The full InChI is InChI=1S/C10H16O3/c1-2-3-5-12-8-10(11)9-4-6-13-7-9/h2-3,9H,4-8H2,1H3/b3-2+.
What are the key properties of 2-[(E)-but-2-enoxy]-1-(oxolan-3-yl)ethanone?
2-[(E)-but-2-enoxy]-1-(oxolan-3-yl)ethanone has a molecular weight of 184.23 g/mol, XLogP of 1.18, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-but-2-enoxy]-1-(oxolan-3-yl)ethanone is sourced from PubChem (CID 104752057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).