2-ethyl-1-(oxolan-3-yl)but-2-en-1-one

C10H16O2 — CID 103447343

IUPAC2-ethyl-1-(oxolan-3-yl)but-2-en-1-one
SMILESCC=C(CC)C(=O)C1CCOC1
InChIInChI=1S/C10H16O2/c1-3-8(4-2)10(11)9-5-6-12-7-9/h3,9H,4-7H2,1-2H3
InChIKeyWPFWZVROGINNOA-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.95
Rot. Bonds3

About 2-ethyl-1-(oxolan-3-yl)but-2-en-1-one

2-ethyl-1-(oxolan-3-yl)but-2-en-1-one (PubChem CID 103447343) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 2-ethyl-1-(oxolan-3-yl)but-2-en-1-one.

Molecular Properties

Compound Name2-ethyl-1-(oxolan-3-yl)but-2-en-1-one
PubChem CID103447343
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name2-ethyl-1-(oxolan-3-yl)but-2-en-1-one
SMILESCC=C(CC)C(=O)C1CCOC1
InChIInChI=1S/C10H16O2/c1-3-8(4-2)10(11)9-5-6-12-7-9/h3,9H,4-7H2,1-2H3
InChIKeyWPFWZVROGINNOA-UHFFFAOYSA-N
XLogP1.95
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

5-pentyl-1,3,3a,6a-tetrahydro-4H-cyclopenta[c]furan-4-one
CID 13540146
2-(3-Methoxypropanoyl)-4-methylcyclopent-4-ene-1,3-dione
CID 58898496
2-Methyl-1-(oxolan-3-yl)prop-2-en-1-one
CID 79190486
(E)-1-[(3S)-oxolan-3-yl]hex-4-en-2-one
CID 122546436
2-Methyl-6-(oxolan-2-yl)cyclohex-2-ene-1,4-dione
CID 141395830
1-(4-But-2-enoyloxolan-3-yl)but-2-en-1-one
CID 141530626
3-(2-Ethylheptoxy)cyclopent-2-en-1-one
CID 174387586
5-Methyl-1,3,3a,7a-tetrahydro-2-benzofuran-4,7-dione
CID 174961267
3-Ethoxy-2-methyl-5-prop-2-enylcyclopent-2-en-1-one
CID 12195102
Cyclohexen-1-yl(oxolan-3-yl)methanone
CID 62077800
Cyclohepten-1-yl(oxolan-3-yl)methanone
CID 62078146
Cyclopenten-1-yl(oxolan-3-yl)methanone
CID 62078833

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(oxolan-3-yl)but-2-en-1-one?
The IUPAC name of 2-ethyl-1-(oxolan-3-yl)but-2-en-1-one (CID 103447343) is 2-ethyl-1-(oxolan-3-yl)but-2-en-1-one.
What is the SMILES notation for 2-ethyl-1-(oxolan-3-yl)but-2-en-1-one?
The canonical SMILES for 2-ethyl-1-(oxolan-3-yl)but-2-en-1-one is CC=C(CC)C(=O)C1CCOC1.
What is the InChIKey of 2-ethyl-1-(oxolan-3-yl)but-2-en-1-one?
The InChIKey is WPFWZVROGINNOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-3-8(4-2)10(11)9-5-6-12-7-9/h3,9H,4-7H2,1-2H3.
What are the key properties of 2-ethyl-1-(oxolan-3-yl)but-2-en-1-one?
2-ethyl-1-(oxolan-3-yl)but-2-en-1-one has a molecular weight of 168.24 g/mol, XLogP of 1.95, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(oxolan-3-yl)but-2-en-1-one is sourced from PubChem (CID 103447343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).