(4aR,6S,8aS)-6-ethoxy-6,8a-dihydro-4aH-pyrano[3,2-b]pyran-2-one

C10H12O4 — CID 10954478

IUPAC(4aR,6S,8aS)-6-ethoxy-6,8a-dihydro-4aH-pyrano[3,2-b]pyran-2-one
SMILESCCO[C@@H]1C=C[C@@H]2OC(=O)C=C[C@H]2O1
InChIInChI=1S/C10H12O4/c1-2-12-10-6-4-7-8(14-10)3-5-9(11)13-7/h3-8,10H,2H2,1H3/t7-,8+,10-/m0/s1
InChIKeyDXBFTVLNPFTJBZ-XKSSXDPKSA-N
MW196.20 g/mol
LogP0.79
Rot. Bonds2

About (4aR,6S,8aS)-6-ethoxy-6,8a-dihydro-4aH-pyrano[3,2-b]pyran-2-one

(4aR,6S,8aS)-6-ethoxy-6,8a-dihydro-4aH-pyrano[3,2-b]pyran-2-one (PubChem CID 10954478) has the molecular formula C10H12O4 and a molecular weight of 196.20 g/mol. Its IUPAC name is (4aR,6S,8aS)-6-ethoxy-6,8a-dihydro-4aH-pyrano[3,2-b]pyran-2-one.

Molecular Properties

Compound Name(4aR,6S,8aS)-6-ethoxy-6,8a-dihydro-4aH-pyrano[3,2-b]pyran-2-one
PubChem CID10954478
Molecular FormulaC10H12O4
Molecular Weight196.20 g/mol
Exact Mass196.07
IUPAC Name(4aR,6S,8aS)-6-ethoxy-6,8a-dihydro-4aH-pyrano[3,2-b]pyran-2-one
SMILESCCO[C@@H]1C=C[C@@H]2OC(=O)C=C[C@H]2O1
InChIInChI=1S/C10H12O4/c1-2-12-10-6-4-7-8(14-10)3-5-9(11)13-7/h3-8,10H,2H2,1H3/t7-,8+,10-/m0/s1
InChIKeyDXBFTVLNPFTJBZ-XKSSXDPKSA-N
XLogP0.79
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.20
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (4aR,6S,8aS)-6-ethoxy-6,8a-dihydro-4aH-pyrano[3,2-b]pyran-2-one?
The IUPAC name of (4aR,6S,8aS)-6-ethoxy-6,8a-dihydro-4aH-pyrano[3,2-b]pyran-2-one (CID 10954478) is (4aR,6S,8aS)-6-ethoxy-6,8a-dihydro-4aH-pyrano[3,2-b]pyran-2-one.
What is the SMILES notation for (4aR,6S,8aS)-6-ethoxy-6,8a-dihydro-4aH-pyrano[3,2-b]pyran-2-one?
The canonical SMILES for (4aR,6S,8aS)-6-ethoxy-6,8a-dihydro-4aH-pyrano[3,2-b]pyran-2-one is CCO[C@@H]1C=C[C@@H]2OC(=O)C=C[C@H]2O1.
What is the InChIKey of (4aR,6S,8aS)-6-ethoxy-6,8a-dihydro-4aH-pyrano[3,2-b]pyran-2-one?
The InChIKey is DXBFTVLNPFTJBZ-XKSSXDPKSA-N. The full InChI is InChI=1S/C10H12O4/c1-2-12-10-6-4-7-8(14-10)3-5-9(11)13-7/h3-8,10H,2H2,1H3/t7-,8+,10-/m0/s1.
What are the key properties of (4aR,6S,8aS)-6-ethoxy-6,8a-dihydro-4aH-pyrano[3,2-b]pyran-2-one?
(4aR,6S,8aS)-6-ethoxy-6,8a-dihydro-4aH-pyrano[3,2-b]pyran-2-one has a molecular weight of 196.20 g/mol, XLogP of 0.79, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR,6S,8aS)-6-ethoxy-6,8a-dihydro-4aH-pyrano[3,2-b]pyran-2-one is sourced from PubChem (CID 10954478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).