2-but-3-enoxy-1-(oxolan-3-yl)ethanone

C10H16O3 — CID 104751966

IUPAC2-but-3-enoxy-1-(oxolan-3-yl)ethanone
SMILESC=CCCOCC(=O)C1CCOC1
InChIInChI=1S/C10H16O3/c1-2-3-5-12-8-10(11)9-4-6-13-7-9/h2,9H,1,3-8H2
InChIKeyFSYCEPKHPXVWHU-UHFFFAOYSA-N
MW184.23 g/mol
LogP1.18
Rot. Bonds6

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

2-but-3-enoxy-1-(oxolan-3-yl)ethanone (PubChem CID 104751966) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is 2-but-3-enoxy-1-(oxolan-3-yl)ethanone.

Molecular Properties

Compound Name2-but-3-enoxy-1-(oxolan-3-yl)ethanone
PubChem CID104751966
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name2-but-3-enoxy-1-(oxolan-3-yl)ethanone
SMILESC=CCCOCC(=O)C1CCOC1
InChIInChI=1S/C10H16O3/c1-2-3-5-12-8-10(11)9-4-6-13-7-9/h2,9H,1,3-8H2
InChIKeyFSYCEPKHPXVWHU-UHFFFAOYSA-N
XLogP1.18
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
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-(Oxolan-3-yl)-2-prop-2-enoxyethanone
CID 104751923
1-(Oxolan-3-yl)-2-pent-4-enoxyethanone
CID 104752144
2-(3-Methylbut-3-enoxy)-1-(oxolan-3-yl)ethanone
CID 114470291

Frequently Asked Questions

What is the IUPAC name of 2-but-3-enoxy-1-(oxolan-3-yl)ethanone?
The IUPAC name of 2-but-3-enoxy-1-(oxolan-3-yl)ethanone (CID 104751966) is 2-but-3-enoxy-1-(oxolan-3-yl)ethanone.
What is the SMILES notation for 2-but-3-enoxy-1-(oxolan-3-yl)ethanone?
The canonical SMILES for 2-but-3-enoxy-1-(oxolan-3-yl)ethanone is C=CCCOCC(=O)C1CCOC1.
What is the InChIKey of 2-but-3-enoxy-1-(oxolan-3-yl)ethanone?
The InChIKey is FSYCEPKHPXVWHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3/c1-2-3-5-12-8-10(11)9-4-6-13-7-9/h2,9H,1,3-8H2.
What are the key properties of 2-but-3-enoxy-1-(oxolan-3-yl)ethanone?
2-but-3-enoxy-1-(oxolan-3-yl)ethanone has a molecular weight of 184.23 g/mol, XLogP of 1.18, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-3-enoxy-1-(oxolan-3-yl)ethanone is sourced from PubChem (CID 104751966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).