4-[(E)-but-2-enyl]-5-hydroxyoxolan-2-one

C8H12O3 — CID 143394438

IUPAC4-[(E)-but-2-enyl]-5-hydroxyoxolan-2-one
SMILESC/C=C/CC1CC(=O)OC1O
InChIInChI=1S/C8H12O3/c1-2-3-4-6-5-7(9)11-8(6)10/h2-3,6,8,10H,4-5H2,1H3/b3-2+
InChIKeyWZYYNLQNRWDFNK-NSCUHMNNSA-N
MW156.18 g/mol
LogP0.83
Rot. Bonds2

About 4-[(E)-but-2-enyl]-5-hydroxyoxolan-2-one

4-[(E)-but-2-enyl]-5-hydroxyoxolan-2-one (PubChem CID 143394438) has the molecular formula C8H12O3 and a molecular weight of 156.18 g/mol. Its IUPAC name is 4-[(E)-but-2-enyl]-5-hydroxyoxolan-2-one.

Molecular Properties

Compound Name4-[(E)-but-2-enyl]-5-hydroxyoxolan-2-one
PubChem CID143394438
Molecular FormulaC8H12O3
Molecular Weight156.18 g/mol
Exact Mass156.08
IUPAC Name4-[(E)-but-2-enyl]-5-hydroxyoxolan-2-one
SMILESC/C=C/CC1CC(=O)OC1O
InChIInChI=1S/C8H12O3/c1-2-3-4-6-5-7(9)11-8(6)10/h2-3,6,8,10H,4-5H2,1H3/b3-2+
InChIKeyWZYYNLQNRWDFNK-NSCUHMNNSA-N
XLogP0.83
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-but-2-enyl]-5-hydroxyoxolan-2-one?
The IUPAC name of 4-[(E)-but-2-enyl]-5-hydroxyoxolan-2-one (CID 143394438) is 4-[(E)-but-2-enyl]-5-hydroxyoxolan-2-one.
What is the SMILES notation for 4-[(E)-but-2-enyl]-5-hydroxyoxolan-2-one?
The canonical SMILES for 4-[(E)-but-2-enyl]-5-hydroxyoxolan-2-one is C/C=C/CC1CC(=O)OC1O.
What is the InChIKey of 4-[(E)-but-2-enyl]-5-hydroxyoxolan-2-one?
The InChIKey is WZYYNLQNRWDFNK-NSCUHMNNSA-N. The full InChI is InChI=1S/C8H12O3/c1-2-3-4-6-5-7(9)11-8(6)10/h2-3,6,8,10H,4-5H2,1H3/b3-2+.
What are the key properties of 4-[(E)-but-2-enyl]-5-hydroxyoxolan-2-one?
4-[(E)-but-2-enyl]-5-hydroxyoxolan-2-one has a molecular weight of 156.18 g/mol, XLogP of 0.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-but-2-enyl]-5-hydroxyoxolan-2-one is sourced from PubChem (CID 143394438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).