(4S)-4-ethoxy-4,6-dihydrofuro[3,2-c]pyran-2-one

C9H10O4 — CID 169491757

IUPAC(4S)-4-ethoxy-4,6-dihydrofuro[3,2-c]pyran-2-one
SMILESCCO[C@H]1OCC=C2OC(=O)C=C21
InChIInChI=1S/C9H10O4/c1-2-11-9-6-5-8(10)13-7(6)3-4-12-9/h3,5,9H,2,4H2,1H3/t9-/m0/s1
InChIKeyWRKXOSFEDIZBRU-VIFPVBQESA-N
MW182.17 g/mol
LogP0.75
Rot. Bonds2

About (4S)-4-ethoxy-4,6-dihydrofuro[3,2-c]pyran-2-one

(4S)-4-ethoxy-4,6-dihydrofuro[3,2-c]pyran-2-one (PubChem CID 169491757) has the molecular formula C9H10O4 and a molecular weight of 182.17 g/mol. Its IUPAC name is (4S)-4-ethoxy-4,6-dihydrofuro[3,2-c]pyran-2-one.

Molecular Properties

Compound Name(4S)-4-ethoxy-4,6-dihydrofuro[3,2-c]pyran-2-one
PubChem CID169491757
Molecular FormulaC9H10O4
Molecular Weight182.17 g/mol
Exact Mass182.06
IUPAC Name(4S)-4-ethoxy-4,6-dihydrofuro[3,2-c]pyran-2-one
SMILESCCO[C@H]1OCC=C2OC(=O)C=C21
InChIInChI=1S/C9H10O4/c1-2-11-9-6-5-8(10)13-7(6)3-4-12-9/h3,5,9H,2,4H2,1H3/t9-/m0/s1
InChIKeyWRKXOSFEDIZBRU-VIFPVBQESA-N
XLogP0.75
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.17
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-ethoxy-4,6-dihydrofuro[3,2-c]pyran-2-one?
The IUPAC name of (4S)-4-ethoxy-4,6-dihydrofuro[3,2-c]pyran-2-one (CID 169491757) is (4S)-4-ethoxy-4,6-dihydrofuro[3,2-c]pyran-2-one.
What is the SMILES notation for (4S)-4-ethoxy-4,6-dihydrofuro[3,2-c]pyran-2-one?
The canonical SMILES for (4S)-4-ethoxy-4,6-dihydrofuro[3,2-c]pyran-2-one is CCO[C@H]1OCC=C2OC(=O)C=C21.
What is the InChIKey of (4S)-4-ethoxy-4,6-dihydrofuro[3,2-c]pyran-2-one?
The InChIKey is WRKXOSFEDIZBRU-VIFPVBQESA-N. The full InChI is InChI=1S/C9H10O4/c1-2-11-9-6-5-8(10)13-7(6)3-4-12-9/h3,5,9H,2,4H2,1H3/t9-/m0/s1.
What are the key properties of (4S)-4-ethoxy-4,6-dihydrofuro[3,2-c]pyran-2-one?
(4S)-4-ethoxy-4,6-dihydrofuro[3,2-c]pyran-2-one has a molecular weight of 182.17 g/mol, XLogP of 0.75, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-ethoxy-4,6-dihydrofuro[3,2-c]pyran-2-one is sourced from PubChem (CID 169491757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).