[(4S,7aR)-2-oxo-4,7a-dihydrofuro[2,3-b]pyran-4-yl] acetate

C9H8O5 — CID 10631724

IUPAC[(4S,7aR)-2-oxo-4,7a-dihydrofuro[2,3-b]pyran-4-yl] acetate
SMILESCC(=O)O[C@H]1C=CO[C@@H]2OC(=O)C=C21
InChIInChI=1S/C9H8O5/c1-5(10)13-7-2-3-12-9-6(7)4-8(11)14-9/h2-4,7,9H,1H3/t7-,9+/m0/s1
InChIKeyWQDDVRAKPFGCRL-IONNQARKSA-N
MW196.16 g/mol
LogP0.27
Rot. Bonds1

About [(4S,7aR)-2-oxo-4,7a-dihydrofuro[2,3-b]pyran-4-yl] acetate

[(4S,7aR)-2-oxo-4,7a-dihydrofuro[2,3-b]pyran-4-yl] acetate (PubChem CID 10631724) has the molecular formula C9H8O5 and a molecular weight of 196.16 g/mol. Its IUPAC name is [(4S,7aR)-2-oxo-4,7a-dihydrofuro[2,3-b]pyran-4-yl] acetate.

Molecular Properties

Compound Name[(4S,7aR)-2-oxo-4,7a-dihydrofuro[2,3-b]pyran-4-yl] acetate
PubChem CID10631724
Molecular FormulaC9H8O5
Molecular Weight196.16 g/mol
Exact Mass196.04
IUPAC Name[(4S,7aR)-2-oxo-4,7a-dihydrofuro[2,3-b]pyran-4-yl] acetate
SMILESCC(=O)O[C@H]1C=CO[C@@H]2OC(=O)C=C21
InChIInChI=1S/C9H8O5/c1-5(10)13-7-2-3-12-9-6(7)4-8(11)14-9/h2-4,7,9H,1H3/t7-,9+/m0/s1
InChIKeyWQDDVRAKPFGCRL-IONNQARKSA-N
XLogP0.27
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.16
LogP ≤ 50.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(4S,7aR)-2-oxo-4,7a-dihydrofuro[2,3-b]pyran-4-yl] acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4H-Furo(3,2-C)pyran-2(6H)-one, 4-(acetyloxy)-
CID 484983
Ionmzuydqdqpgo-cahluqpwsa-
CID 10606969
Aspergilsmin C
CID 10931817
Chenopodolan E
CID 139588349
Luteopyroxin
CID 156580716
Aspergilsmin D
CID 156581969
Aspergilsmin F
CID 156581971
Aspergilsmin G
CID 156581972
(S)-Patulin Methyl Ether
CID 14356658
4H-Furo(3,2-c)pyran-2(6H)-one, 4-hydroxy-, butyrate
CID 24838300
Mycoin propionate
CID 24838301
4-Ethoxy-4,6-dihydrouro[3,2-c]pyran-2-one
CID 169491757

Frequently Asked Questions

What is the IUPAC name of [(4S,7aR)-2-oxo-4,7a-dihydrofuro[2,3-b]pyran-4-yl] acetate?
The IUPAC name of [(4S,7aR)-2-oxo-4,7a-dihydrofuro[2,3-b]pyran-4-yl] acetate (CID 10631724) is [(4S,7aR)-2-oxo-4,7a-dihydrofuro[2,3-b]pyran-4-yl] acetate.
What is the SMILES notation for [(4S,7aR)-2-oxo-4,7a-dihydrofuro[2,3-b]pyran-4-yl] acetate?
The canonical SMILES for [(4S,7aR)-2-oxo-4,7a-dihydrofuro[2,3-b]pyran-4-yl] acetate is CC(=O)O[C@H]1C=CO[C@@H]2OC(=O)C=C21.
What is the InChIKey of [(4S,7aR)-2-oxo-4,7a-dihydrofuro[2,3-b]pyran-4-yl] acetate?
The InChIKey is WQDDVRAKPFGCRL-IONNQARKSA-N. The full InChI is InChI=1S/C9H8O5/c1-5(10)13-7-2-3-12-9-6(7)4-8(11)14-9/h2-4,7,9H,1H3/t7-,9+/m0/s1.
What are the key properties of [(4S,7aR)-2-oxo-4,7a-dihydrofuro[2,3-b]pyran-4-yl] acetate?
[(4S,7aR)-2-oxo-4,7a-dihydrofuro[2,3-b]pyran-4-yl] acetate has a molecular weight of 196.16 g/mol, XLogP of 0.27, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S,7aR)-2-oxo-4,7a-dihydrofuro[2,3-b]pyran-4-yl] acetate is sourced from PubChem (CID 10631724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).