ethyl 2-[(4aS,6R,8R,8aR)-6-ethoxy-2-oxo-6,7,8,8a-tetrahydro-4aH-pyrano[3,2-b]pyran-8-yl]acetate

C14H20O6 — CID 11140620

IUPACethyl 2-[(4aS,6R,8R,8aR)-6-ethoxy-2-oxo-6,7,8,8a-tetrahydro-4aH-pyrano[3,2-b]pyran-8-yl]acetate
SMILESCCOC(=O)C[C@H]1C[C@H](OCC)O[C@H]2C=CC(=O)O[C@H]12
InChIInChI=1S/C14H20O6/c1-3-17-12(16)7-9-8-13(18-4-2)19-10-5-6-11(15)20-14(9)10/h5-6,9-10,13-14H,3-4,7-8H2,1-2H3/t9-,10-,13+,14+/m0/s1
InChIKeySFFPPSKFXQPNFZ-DUBDDPSESA-N
MW284.31 g/mol
LogP1.19
Rot. Bonds5

About ethyl 2-[(4aS,6R,8R,8aR)-6-ethoxy-2-oxo-6,7,8,8a-tetrahydro-4aH-pyrano[3,2-b]pyran-8-yl]acetate

ethyl 2-[(4aS,6R,8R,8aR)-6-ethoxy-2-oxo-6,7,8,8a-tetrahydro-4aH-pyrano[3,2-b]pyran-8-yl]acetate (PubChem CID 11140620) has the molecular formula C14H20O6 and a molecular weight of 284.31 g/mol. Its IUPAC name is ethyl 2-[(4aS,6R,8R,8aR)-6-ethoxy-2-oxo-6,7,8,8a-tetrahydro-4aH-pyrano[3,2-b]pyran-8-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[(4aS,6R,8R,8aR)-6-ethoxy-2-oxo-6,7,8,8a-tetrahydro-4aH-pyrano[3,2-b]pyran-8-yl]acetate
PubChem CID11140620
Molecular FormulaC14H20O6
Molecular Weight284.31 g/mol
Exact Mass284.13
IUPAC Nameethyl 2-[(4aS,6R,8R,8aR)-6-ethoxy-2-oxo-6,7,8,8a-tetrahydro-4aH-pyrano[3,2-b]pyran-8-yl]acetate
SMILESCCOC(=O)C[C@H]1C[C@H](OCC)O[C@H]2C=CC(=O)O[C@H]12
InChIInChI=1S/C14H20O6/c1-3-17-12(16)7-9-8-13(18-4-2)19-10-5-6-11(15)20-14(9)10/h5-6,9-10,13-14H,3-4,7-8H2,1-2H3/t9-,10-,13+,14+/m0/s1
InChIKeySFFPPSKFXQPNFZ-DUBDDPSESA-N
XLogP1.19
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 2-[(4aS,6R,8R,8aR)-6-ethoxy-2-oxo-6,7,8,8a-tetrahydro-4aH-pyrano[3,2-b]pyran-8-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

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(4aS,6R,8R,8aR)-6-ethoxy-2-oxo-6,7,8,8a-tetrahydro-4aH-pyrano[3,2-b]pyran-8-yl]acetate?
The IUPAC name of ethyl 2-[(4aS,6R,8R,8aR)-6-ethoxy-2-oxo-6,7,8,8a-tetrahydro-4aH-pyrano[3,2-b]pyran-8-yl]acetate (CID 11140620) is ethyl 2-[(4aS,6R,8R,8aR)-6-ethoxy-2-oxo-6,7,8,8a-tetrahydro-4aH-pyrano[3,2-b]pyran-8-yl]acetate.
What is the SMILES notation for ethyl 2-[(4aS,6R,8R,8aR)-6-ethoxy-2-oxo-6,7,8,8a-tetrahydro-4aH-pyrano[3,2-b]pyran-8-yl]acetate?
The canonical SMILES for ethyl 2-[(4aS,6R,8R,8aR)-6-ethoxy-2-oxo-6,7,8,8a-tetrahydro-4aH-pyrano[3,2-b]pyran-8-yl]acetate is CCOC(=O)C[C@H]1C[C@H](OCC)O[C@H]2C=CC(=O)O[C@H]12.
What is the InChIKey of ethyl 2-[(4aS,6R,8R,8aR)-6-ethoxy-2-oxo-6,7,8,8a-tetrahydro-4aH-pyrano[3,2-b]pyran-8-yl]acetate?
The InChIKey is SFFPPSKFXQPNFZ-DUBDDPSESA-N. The full InChI is InChI=1S/C14H20O6/c1-3-17-12(16)7-9-8-13(18-4-2)19-10-5-6-11(15)20-14(9)10/h5-6,9-10,13-14H,3-4,7-8H2,1-2H3/t9-,10-,13+,14+/m0/s1.
What are the key properties of ethyl 2-[(4aS,6R,8R,8aR)-6-ethoxy-2-oxo-6,7,8,8a-tetrahydro-4aH-pyrano[3,2-b]pyran-8-yl]acetate?
ethyl 2-[(4aS,6R,8R,8aR)-6-ethoxy-2-oxo-6,7,8,8a-tetrahydro-4aH-pyrano[3,2-b]pyran-8-yl]acetate has a molecular weight of 284.31 g/mol, XLogP of 1.19, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(4aS,6R,8R,8aR)-6-ethoxy-2-oxo-6,7,8,8a-tetrahydro-4aH-pyrano[3,2-b]pyran-8-yl]acetate is sourced from PubChem (CID 11140620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).