1-[(4E)-4-ethylideneoxolan-3-yl]propan-2-one

C9H14O2 — CID 102092377

IUPAC1-[(4E)-4-ethylideneoxolan-3-yl]propan-2-one
SMILESC/C=C1/COCC1CC(C)=O
InChIInChI=1S/C9H14O2/c1-3-8-5-11-6-9(8)4-7(2)10/h3,9H,4-6H2,1-2H3/b8-3-
InChIKeyCOWSCTQMDNVASH-BAQGIRSFSA-N
MW154.21 g/mol
LogP1.56
Rot. Bonds2

About 1-[(4E)-4-ethylideneoxolan-3-yl]propan-2-one

1-[(4E)-4-ethylideneoxolan-3-yl]propan-2-one (PubChem CID 102092377) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is 1-[(4E)-4-ethylideneoxolan-3-yl]propan-2-one.

Molecular Properties

Compound Name1-[(4E)-4-ethylideneoxolan-3-yl]propan-2-one
PubChem CID102092377
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name1-[(4E)-4-ethylideneoxolan-3-yl]propan-2-one
SMILESC/C=C1/COCC1CC(C)=O
InChIInChI=1S/C9H14O2/c1-3-8-5-11-6-9(8)4-7(2)10/h3,9H,4-6H2,1-2H3/b8-3-
InChIKeyCOWSCTQMDNVASH-BAQGIRSFSA-N
XLogP1.56
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
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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CID 10887896
1,1-dimethyl-3a,4-dihydro-1H-cyclopenta[c]furan-5(3H)-one
CID 13332066
3,6,7,7a-tetrahydro-1H-2-benzofuran-5-one
CID 123773595
1-(4-Ethyl-1,3,5,6-tetrahydro-2-benzofuran-5-yl)ethanone
CID 10607774
(6aS)-4-methyl-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one
CID 11205784
1-Methyl-3a,4-dihydro-1H-cyclopenta[c]furan-5(3H)-one
CID 13332065
(6aR)-4-methyl-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one
CID 92543638
Methyl 2-(acetoxymethyl)-4-oxocyclopent-2-ene-1-carboxylate
CID 129759589
Methyl 2-(acetoxymethyl)cyclopent-2-ene-1-carboxylate
CID 129864935
1-[(2S,3S,5S)-2-methyl-5-(2-methylprop-1-enyl)oxolan-3-yl]ethanone
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1-[(2R)-2-methyl-5-(2-methylprop-1-enyl)oxolan-3-yl]ethanone
CID 134961741

Frequently Asked Questions

What is the IUPAC name of 1-[(4E)-4-ethylideneoxolan-3-yl]propan-2-one?
The IUPAC name of 1-[(4E)-4-ethylideneoxolan-3-yl]propan-2-one (CID 102092377) is 1-[(4E)-4-ethylideneoxolan-3-yl]propan-2-one.
What is the SMILES notation for 1-[(4E)-4-ethylideneoxolan-3-yl]propan-2-one?
The canonical SMILES for 1-[(4E)-4-ethylideneoxolan-3-yl]propan-2-one is C/C=C1/COCC1CC(C)=O.
What is the InChIKey of 1-[(4E)-4-ethylideneoxolan-3-yl]propan-2-one?
The InChIKey is COWSCTQMDNVASH-BAQGIRSFSA-N. The full InChI is InChI=1S/C9H14O2/c1-3-8-5-11-6-9(8)4-7(2)10/h3,9H,4-6H2,1-2H3/b8-3-.
What are the key properties of 1-[(4E)-4-ethylideneoxolan-3-yl]propan-2-one?
1-[(4E)-4-ethylideneoxolan-3-yl]propan-2-one has a molecular weight of 154.21 g/mol, XLogP of 1.56, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4E)-4-ethylideneoxolan-3-yl]propan-2-one is sourced from PubChem (CID 102092377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).