2-[(2S,5R)-5-but-3-enyl-2,5-dihydrofuran-2-yl]ethanol

C10H16O2 — CID 89228344

IUPAC2-[(2S,5R)-5-but-3-enyl-2,5-dihydrofuran-2-yl]ethanol
SMILESC=CCC[C@@H]1C=C[C@H](CCO)O1
InChIInChI=1S/C10H16O2/c1-2-3-4-9-5-6-10(12-9)7-8-11/h2,5-6,9-11H,1,3-4,7-8H2/t9-,10-/m1/s1
InChIKeyJLJPLTMKSWNAKK-NXEZZACHSA-N
MW168.24 g/mol
LogP1.66
Rot. Bonds5

About 2-[(2S,5R)-5-but-3-enyl-2,5-dihydrofuran-2-yl]ethanol

2-[(2S,5R)-5-but-3-enyl-2,5-dihydrofuran-2-yl]ethanol (PubChem CID 89228344) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 2-[(2S,5R)-5-but-3-enyl-2,5-dihydrofuran-2-yl]ethanol.

Molecular Properties

Compound Name2-[(2S,5R)-5-but-3-enyl-2,5-dihydrofuran-2-yl]ethanol
PubChem CID89228344
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name2-[(2S,5R)-5-but-3-enyl-2,5-dihydrofuran-2-yl]ethanol
SMILESC=CCC[C@@H]1C=C[C@H](CCO)O1
InChIInChI=1S/C10H16O2/c1-2-3-4-9-5-6-10(12-9)7-8-11/h2,5-6,9-11H,1,3-4,7-8H2/t9-,10-/m1/s1
InChIKeyJLJPLTMKSWNAKK-NXEZZACHSA-N
XLogP1.66
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 2-[(2S,5R)-5-but-3-enyl-2,5-dihydrofuran-2-yl]ethanol?
The IUPAC name of 2-[(2S,5R)-5-but-3-enyl-2,5-dihydrofuran-2-yl]ethanol (CID 89228344) is 2-[(2S,5R)-5-but-3-enyl-2,5-dihydrofuran-2-yl]ethanol.
What is the SMILES notation for 2-[(2S,5R)-5-but-3-enyl-2,5-dihydrofuran-2-yl]ethanol?
The canonical SMILES for 2-[(2S,5R)-5-but-3-enyl-2,5-dihydrofuran-2-yl]ethanol is C=CCC[C@@H]1C=C[C@H](CCO)O1.
What is the InChIKey of 2-[(2S,5R)-5-but-3-enyl-2,5-dihydrofuran-2-yl]ethanol?
The InChIKey is JLJPLTMKSWNAKK-NXEZZACHSA-N. The full InChI is InChI=1S/C10H16O2/c1-2-3-4-9-5-6-10(12-9)7-8-11/h2,5-6,9-11H,1,3-4,7-8H2/t9-,10-/m1/s1.
What are the key properties of 2-[(2S,5R)-5-but-3-enyl-2,5-dihydrofuran-2-yl]ethanol?
2-[(2S,5R)-5-but-3-enyl-2,5-dihydrofuran-2-yl]ethanol has a molecular weight of 168.24 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,5R)-5-but-3-enyl-2,5-dihydrofuran-2-yl]ethanol is sourced from PubChem (CID 89228344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).