5-ethyl-2-[(E)-4-hydroxybut-1-enyl]oxan-2-ol

C11H20O3 — CID 134897923

IUPAC5-ethyl-2-[(E)-4-hydroxybut-1-enyl]oxan-2-ol
SMILESCCC1CCC(O)(/C=C/CCO)OC1
InChIInChI=1S/C11H20O3/c1-2-10-5-7-11(13,14-9-10)6-3-4-8-12/h3,6,10,12-13H,2,4-5,7-9H2,1H3/b6-3+
InChIKeyFETREBIPRNKIKJ-ZZXKWVIFSA-N
MW200.28 g/mol
LogP1.45
Rot. Bonds4

About 5-ethyl-2-[(E)-4-hydroxybut-1-enyl]oxan-2-ol

5-ethyl-2-[(E)-4-hydroxybut-1-enyl]oxan-2-ol (PubChem CID 134897923) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is 5-ethyl-2-[(E)-4-hydroxybut-1-enyl]oxan-2-ol.

Molecular Properties

Compound Name5-ethyl-2-[(E)-4-hydroxybut-1-enyl]oxan-2-ol
PubChem CID134897923
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Name5-ethyl-2-[(E)-4-hydroxybut-1-enyl]oxan-2-ol
SMILESCCC1CCC(O)(/C=C/CCO)OC1
InChIInChI=1S/C11H20O3/c1-2-10-5-7-11(13,14-9-10)6-3-4-8-12/h3,6,10,12-13H,2,4-5,7-9H2,1H3/b6-3+
InChIKeyFETREBIPRNKIKJ-ZZXKWVIFSA-N
XLogP1.45
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 51.45
H-Bond Donors ≤ 52
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 5-ethyl-2-[(E)-4-hydroxybut-1-enyl]oxan-2-ol?
The IUPAC name of 5-ethyl-2-[(E)-4-hydroxybut-1-enyl]oxan-2-ol (CID 134897923) is 5-ethyl-2-[(E)-4-hydroxybut-1-enyl]oxan-2-ol.
What is the SMILES notation for 5-ethyl-2-[(E)-4-hydroxybut-1-enyl]oxan-2-ol?
The canonical SMILES for 5-ethyl-2-[(E)-4-hydroxybut-1-enyl]oxan-2-ol is CCC1CCC(O)(/C=C/CCO)OC1.
What is the InChIKey of 5-ethyl-2-[(E)-4-hydroxybut-1-enyl]oxan-2-ol?
The InChIKey is FETREBIPRNKIKJ-ZZXKWVIFSA-N. The full InChI is InChI=1S/C11H20O3/c1-2-10-5-7-11(13,14-9-10)6-3-4-8-12/h3,6,10,12-13H,2,4-5,7-9H2,1H3/b6-3+.
What are the key properties of 5-ethyl-2-[(E)-4-hydroxybut-1-enyl]oxan-2-ol?
5-ethyl-2-[(E)-4-hydroxybut-1-enyl]oxan-2-ol has a molecular weight of 200.28 g/mol, XLogP of 1.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-[(E)-4-hydroxybut-1-enyl]oxan-2-ol is sourced from PubChem (CID 134897923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).