5-(2-hydroxyethyl)-3a,7a-dihydrofuro[3,2-b]pyran-7-one

C9H10O4 — CID 20623687

IUPAC5-(2-hydroxyethyl)-3a,7a-dihydrofuro[3,2-b]pyran-7-one
SMILESO=C1C=C(CCO)OC2C=COC12
InChIInChI=1S/C9H10O4/c10-3-1-6-5-7(11)9-8(13-6)2-4-12-9/h2,4-5,8-10H,1,3H2
InChIKeyKNVFETRDYBDSNR-UHFFFAOYSA-N
MW182.17 g/mol
LogP0.13
Rot. Bonds2

About 5-(2-hydroxyethyl)-3a,7a-dihydrofuro[3,2-b]pyran-7-one

5-(2-hydroxyethyl)-3a,7a-dihydrofuro[3,2-b]pyran-7-one (PubChem CID 20623687) has the molecular formula C9H10O4 and a molecular weight of 182.17 g/mol. Its IUPAC name is 5-(2-hydroxyethyl)-3a,7a-dihydrofuro[3,2-b]pyran-7-one.

Molecular Properties

Compound Name5-(2-hydroxyethyl)-3a,7a-dihydrofuro[3,2-b]pyran-7-one
PubChem CID20623687
Molecular FormulaC9H10O4
Molecular Weight182.17 g/mol
Exact Mass182.06
IUPAC Name5-(2-hydroxyethyl)-3a,7a-dihydrofuro[3,2-b]pyran-7-one
SMILESO=C1C=C(CCO)OC2C=COC12
InChIInChI=1S/C9H10O4/c10-3-1-6-5-7(11)9-8(13-6)2-4-12-9/h2,4-5,8-10H,1,3H2
InChIKeyKNVFETRDYBDSNR-UHFFFAOYSA-N
XLogP0.13
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.17
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-hydroxyethyl)-3a,7a-dihydrofuro[3,2-b]pyran-7-one?
The IUPAC name of 5-(2-hydroxyethyl)-3a,7a-dihydrofuro[3,2-b]pyran-7-one (CID 20623687) is 5-(2-hydroxyethyl)-3a,7a-dihydrofuro[3,2-b]pyran-7-one.
What is the SMILES notation for 5-(2-hydroxyethyl)-3a,7a-dihydrofuro[3,2-b]pyran-7-one?
The canonical SMILES for 5-(2-hydroxyethyl)-3a,7a-dihydrofuro[3,2-b]pyran-7-one is O=C1C=C(CCO)OC2C=COC12.
What is the InChIKey of 5-(2-hydroxyethyl)-3a,7a-dihydrofuro[3,2-b]pyran-7-one?
The InChIKey is KNVFETRDYBDSNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O4/c10-3-1-6-5-7(11)9-8(13-6)2-4-12-9/h2,4-5,8-10H,1,3H2.
What are the key properties of 5-(2-hydroxyethyl)-3a,7a-dihydrofuro[3,2-b]pyran-7-one?
5-(2-hydroxyethyl)-3a,7a-dihydrofuro[3,2-b]pyran-7-one has a molecular weight of 182.17 g/mol, XLogP of 0.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-hydroxyethyl)-3a,7a-dihydrofuro[3,2-b]pyran-7-one is sourced from PubChem (CID 20623687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).