2-[(2S,5S)-5-(1-hydroxyethyl)-2,5-dihydrofuran-2-yl]-2H-furan-5-one

C10H12O4 — CID 139584808

IUPAC2-[(2S,5S)-5-(1-hydroxyethyl)-2,5-dihydrofuran-2-yl]-2H-furan-5-one
SMILESCC(O)[C@@H]1C=C[C@@H](C2C=CC(=O)O2)O1
InChIInChI=1S/C10H12O4/c1-6(11)7-2-3-8(13-7)9-4-5-10(12)14-9/h2-9,11H,1H3/t6?,7-,8-,9?/m0/s1
InChIKeyQAZLKUZAURTWCN-QXNPHUFVSA-N
MW196.20 g/mol
LogP0.17
Rot. Bonds2

About 2-[(2S,5S)-5-(1-hydroxyethyl)-2,5-dihydrofuran-2-yl]-2H-furan-5-one

2-[(2S,5S)-5-(1-hydroxyethyl)-2,5-dihydrofuran-2-yl]-2H-furan-5-one (PubChem CID 139584808) has the molecular formula C10H12O4 and a molecular weight of 196.20 g/mol. Its IUPAC name is 2-[(2S,5S)-5-(1-hydroxyethyl)-2,5-dihydrofuran-2-yl]-2H-furan-5-one.

Molecular Properties

Compound Name2-[(2S,5S)-5-(1-hydroxyethyl)-2,5-dihydrofuran-2-yl]-2H-furan-5-one
PubChem CID139584808
Molecular FormulaC10H12O4
Molecular Weight196.20 g/mol
Exact Mass196.07
IUPAC Name2-[(2S,5S)-5-(1-hydroxyethyl)-2,5-dihydrofuran-2-yl]-2H-furan-5-one
SMILESCC(O)[C@@H]1C=C[C@@H](C2C=CC(=O)O2)O1
InChIInChI=1S/C10H12O4/c1-6(11)7-2-3-8(13-7)9-4-5-10(12)14-9/h2-9,11H,1H3/t6?,7-,8-,9?/m0/s1
InChIKeyQAZLKUZAURTWCN-QXNPHUFVSA-N
XLogP0.17
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.20
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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,5S)-5-(1-hydroxyethyl)-2,5-dihydrofuran-2-yl]-2H-furan-5-one?
The IUPAC name of 2-[(2S,5S)-5-(1-hydroxyethyl)-2,5-dihydrofuran-2-yl]-2H-furan-5-one (CID 139584808) is 2-[(2S,5S)-5-(1-hydroxyethyl)-2,5-dihydrofuran-2-yl]-2H-furan-5-one.
What is the SMILES notation for 2-[(2S,5S)-5-(1-hydroxyethyl)-2,5-dihydrofuran-2-yl]-2H-furan-5-one?
The canonical SMILES for 2-[(2S,5S)-5-(1-hydroxyethyl)-2,5-dihydrofuran-2-yl]-2H-furan-5-one is CC(O)[C@@H]1C=C[C@@H](C2C=CC(=O)O2)O1.
What is the InChIKey of 2-[(2S,5S)-5-(1-hydroxyethyl)-2,5-dihydrofuran-2-yl]-2H-furan-5-one?
The InChIKey is QAZLKUZAURTWCN-QXNPHUFVSA-N. The full InChI is InChI=1S/C10H12O4/c1-6(11)7-2-3-8(13-7)9-4-5-10(12)14-9/h2-9,11H,1H3/t6?,7-,8-,9?/m0/s1.
What are the key properties of 2-[(2S,5S)-5-(1-hydroxyethyl)-2,5-dihydrofuran-2-yl]-2H-furan-5-one?
2-[(2S,5S)-5-(1-hydroxyethyl)-2,5-dihydrofuran-2-yl]-2H-furan-5-one has a molecular weight of 196.20 g/mol, XLogP of 0.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,5S)-5-(1-hydroxyethyl)-2,5-dihydrofuran-2-yl]-2H-furan-5-one is sourced from PubChem (CID 139584808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).