(5S)-5-[5-[(1R)-1-hydroxyethyl]furan-2-yl]oxolan-2-one

C10H12O4 — CID 130930753

IUPAC(5S)-5-[5-[(1R)-1-hydroxyethyl]furan-2-yl]oxolan-2-one
SMILESC[C@@H](O)c1ccc([C@@H]2CCC(=O)O2)o1
InChIInChI=1S/C10H12O4/c1-6(11)7-2-3-8(13-7)9-4-5-10(12)14-9/h2-3,6,9,11H,4-5H2,1H3/t6-,9+/m1/s1
InChIKeyAPBQCQCZDOLYQU-MUWHJKNJSA-N
MW196.20 g/mol
LogP1.71
Rot. Bonds2

About (5S)-5-[5-[(1R)-1-hydroxyethyl]furan-2-yl]oxolan-2-one

(5S)-5-[5-[(1R)-1-hydroxyethyl]furan-2-yl]oxolan-2-one (PubChem CID 130930753) has the molecular formula C10H12O4 and a molecular weight of 196.20 g/mol. Its IUPAC name is (5S)-5-[5-[(1R)-1-hydroxyethyl]furan-2-yl]oxolan-2-one.

Molecular Properties

Compound Name(5S)-5-[5-[(1R)-1-hydroxyethyl]furan-2-yl]oxolan-2-one
PubChem CID130930753
Molecular FormulaC10H12O4
Molecular Weight196.20 g/mol
Exact Mass196.07
IUPAC Name(5S)-5-[5-[(1R)-1-hydroxyethyl]furan-2-yl]oxolan-2-one
SMILESC[C@@H](O)c1ccc([C@@H]2CCC(=O)O2)o1
InChIInChI=1S/C10H12O4/c1-6(11)7-2-3-8(13-7)9-4-5-10(12)14-9/h2-3,6,9,11H,4-5H2,1H3/t6-,9+/m1/s1
InChIKeyAPBQCQCZDOLYQU-MUWHJKNJSA-N
XLogP1.71
TPSA59.67 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 ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-[5-[(1R)-1-hydroxyethyl]furan-2-yl]oxolan-2-one?
The IUPAC name of (5S)-5-[5-[(1R)-1-hydroxyethyl]furan-2-yl]oxolan-2-one (CID 130930753) is (5S)-5-[5-[(1R)-1-hydroxyethyl]furan-2-yl]oxolan-2-one.
What is the SMILES notation for (5S)-5-[5-[(1R)-1-hydroxyethyl]furan-2-yl]oxolan-2-one?
The canonical SMILES for (5S)-5-[5-[(1R)-1-hydroxyethyl]furan-2-yl]oxolan-2-one is C[C@@H](O)c1ccc([C@@H]2CCC(=O)O2)o1.
What is the InChIKey of (5S)-5-[5-[(1R)-1-hydroxyethyl]furan-2-yl]oxolan-2-one?
The InChIKey is APBQCQCZDOLYQU-MUWHJKNJSA-N. The full InChI is InChI=1S/C10H12O4/c1-6(11)7-2-3-8(13-7)9-4-5-10(12)14-9/h2-3,6,9,11H,4-5H2,1H3/t6-,9+/m1/s1.
What are the key properties of (5S)-5-[5-[(1R)-1-hydroxyethyl]furan-2-yl]oxolan-2-one?
(5S)-5-[5-[(1R)-1-hydroxyethyl]furan-2-yl]oxolan-2-one has a molecular weight of 196.20 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[5-[(1R)-1-hydroxyethyl]furan-2-yl]oxolan-2-one is sourced from PubChem (CID 130930753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).