(4aR,7aR)-4a-ethoxy-2,2-dimethyl-7,7a-dihydro-4H-furo[3,2-d][1,3]dioxin-6-one

C10H16O5 — CID 11106764

IUPAC(4aR,7aR)-4a-ethoxy-2,2-dimethyl-7,7a-dihydro-4H-furo[3,2-d][1,3]dioxin-6-one
SMILESCCO[C@@]12COC(C)(C)O[C@@H]1CC(=O)O2
InChIInChI=1S/C10H16O5/c1-4-12-10-6-13-9(2,3)14-7(10)5-8(11)15-10/h7H,4-6H2,1-3H3/t7-,10-/m1/s1
InChIKeyARJVTWHLOXUKQC-GMSGAONNSA-N
MW216.23 g/mol
LogP0.82
Rot. Bonds2

About (4aR,7aR)-4a-ethoxy-2,2-dimethyl-7,7a-dihydro-4H-furo[3,2-d][1,3]dioxin-6-one

(4aR,7aR)-4a-ethoxy-2,2-dimethyl-7,7a-dihydro-4H-furo[3,2-d][1,3]dioxin-6-one (PubChem CID 11106764) has the molecular formula C10H16O5 and a molecular weight of 216.23 g/mol. Its IUPAC name is (4aR,7aR)-4a-ethoxy-2,2-dimethyl-7,7a-dihydro-4H-furo[3,2-d][1,3]dioxin-6-one.

Molecular Properties

Compound Name(4aR,7aR)-4a-ethoxy-2,2-dimethyl-7,7a-dihydro-4H-furo[3,2-d][1,3]dioxin-6-one
PubChem CID11106764
Molecular FormulaC10H16O5
Molecular Weight216.23 g/mol
Exact Mass216.10
IUPAC Name(4aR,7aR)-4a-ethoxy-2,2-dimethyl-7,7a-dihydro-4H-furo[3,2-d][1,3]dioxin-6-one
SMILESCCO[C@@]12COC(C)(C)O[C@@H]1CC(=O)O2
InChIInChI=1S/C10H16O5/c1-4-12-10-6-13-9(2,3)14-7(10)5-8(11)15-10/h7H,4-6H2,1-3H3/t7-,10-/m1/s1
InChIKeyARJVTWHLOXUKQC-GMSGAONNSA-N
XLogP0.82
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.23
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4aR,7aR)-4a-ethoxy-2,2-dimethyl-7,7a-dihydro-4H-furo[3,2-d][1,3]dioxin-6-one?
The IUPAC name of (4aR,7aR)-4a-ethoxy-2,2-dimethyl-7,7a-dihydro-4H-furo[3,2-d][1,3]dioxin-6-one (CID 11106764) is (4aR,7aR)-4a-ethoxy-2,2-dimethyl-7,7a-dihydro-4H-furo[3,2-d][1,3]dioxin-6-one.
What is the SMILES notation for (4aR,7aR)-4a-ethoxy-2,2-dimethyl-7,7a-dihydro-4H-furo[3,2-d][1,3]dioxin-6-one?
The canonical SMILES for (4aR,7aR)-4a-ethoxy-2,2-dimethyl-7,7a-dihydro-4H-furo[3,2-d][1,3]dioxin-6-one is CCO[C@@]12COC(C)(C)O[C@@H]1CC(=O)O2.
What is the InChIKey of (4aR,7aR)-4a-ethoxy-2,2-dimethyl-7,7a-dihydro-4H-furo[3,2-d][1,3]dioxin-6-one?
The InChIKey is ARJVTWHLOXUKQC-GMSGAONNSA-N. The full InChI is InChI=1S/C10H16O5/c1-4-12-10-6-13-9(2,3)14-7(10)5-8(11)15-10/h7H,4-6H2,1-3H3/t7-,10-/m1/s1.
What are the key properties of (4aR,7aR)-4a-ethoxy-2,2-dimethyl-7,7a-dihydro-4H-furo[3,2-d][1,3]dioxin-6-one?
(4aR,7aR)-4a-ethoxy-2,2-dimethyl-7,7a-dihydro-4H-furo[3,2-d][1,3]dioxin-6-one has a molecular weight of 216.23 g/mol, XLogP of 0.82, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR,7aR)-4a-ethoxy-2,2-dimethyl-7,7a-dihydro-4H-furo[3,2-d][1,3]dioxin-6-one is sourced from PubChem (CID 11106764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).