1-(oxolan-3-yl)pent-4-en-2-one

C9H14O2 — CID 103986202

IUPAC1-(oxolan-3-yl)pent-4-en-2-one
SMILESC=CCC(=O)CC1CCOC1
InChIInChI=1S/C9H14O2/c1-2-3-9(10)6-8-4-5-11-7-8/h2,8H,1,3-7H2
InChIKeySKPLYJSAMHFTMH-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.56
Rot. Bonds4

About 1-(oxolan-3-yl)pent-4-en-2-one

1-(oxolan-3-yl)pent-4-en-2-one (PubChem CID 103986202) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is 1-(oxolan-3-yl)pent-4-en-2-one.

Molecular Properties

Compound Name1-(oxolan-3-yl)pent-4-en-2-one
PubChem CID103986202
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name1-(oxolan-3-yl)pent-4-en-2-one
SMILESC=CCC(=O)CC1CCOC1
InChIInChI=1S/C9H14O2/c1-2-3-9(10)6-8-4-5-11-7-8/h2,8H,1,3-7H2
InChIKeySKPLYJSAMHFTMH-UHFFFAOYSA-N
XLogP1.56
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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3-(3-Methoxypropyl)hept-6-en-2-one
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(4R)-6-[(3S,5S)-3,5-dimethyloct-7-enoxy]-4-methylhexan-2-one
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1-[(3R)-5,5-dimethyloxolan-3-yl]but-3-en-1-one
CID 59911222
2-(2-But-3-enoxyethyl)cyclopentan-1-one
CID 79565442
2-Methyl-5-(2-propan-2-yloxyethyl)oct-7-en-3-one
CID 89105354
1-(Oxolan-3-yl)but-3-en-2-one
CID 103986093
(E)-1-[(3S)-oxolan-3-yl]hex-4-en-2-one
CID 122546436
3-Pent-4-enyloxolan-2-one
CID 139448427
3-Pent-4-enoyloxolan-2-one
CID 140031341
3-Methyl-1-(2-methylideneoxolan-3-yl)but-3-en-2-one
CID 144794351

Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-3-yl)pent-4-en-2-one?
The IUPAC name of 1-(oxolan-3-yl)pent-4-en-2-one (CID 103986202) is 1-(oxolan-3-yl)pent-4-en-2-one.
What is the SMILES notation for 1-(oxolan-3-yl)pent-4-en-2-one?
The canonical SMILES for 1-(oxolan-3-yl)pent-4-en-2-one is C=CCC(=O)CC1CCOC1.
What is the InChIKey of 1-(oxolan-3-yl)pent-4-en-2-one?
The InChIKey is SKPLYJSAMHFTMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2/c1-2-3-9(10)6-8-4-5-11-7-8/h2,8H,1,3-7H2.
What are the key properties of 1-(oxolan-3-yl)pent-4-en-2-one?
1-(oxolan-3-yl)pent-4-en-2-one has a molecular weight of 154.21 g/mol, XLogP of 1.56, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-3-yl)pent-4-en-2-one is sourced from PubChem (CID 103986202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).