[(6R,6aS,8R,9R,10aS,10bR)-8,9-dimethoxy-2,2,8,9-tetramethyl-6,6a,10a,10b-tetrahydro-4H-[1,4]dioxino[2,3-h][1,3]benzodioxin-6-yl] acetate

C18H28O8 — CID 135013877

IUPAC[(6R,6aS,8R,9R,10aS,10bR)-8,9-dimethoxy-2,2,8,9-tetramethyl-6,6a,10a,10b-tetrahydro-4H-[1,4]dioxino[2,3-h][1,3]benzodioxin-6-yl] acetate
SMILESCO[C@]1(C)O[C@@H]2[C@@H](O[C@@]1(C)OC)[C@H](OC(C)=O)C=C1COC(C)(C)O[C@H]12
InChIInChI=1S/C18H28O8/c1-10(19)23-12-8-11-9-22-16(2,3)24-13(11)15-14(12)25-17(4,20-6)18(5,21-7)26-15/h8,12-15H,9H2,1-7H3/t12-,13-,14+,15+,17-,18-/m1/s1
InChIKeyJLIXZGWSILYNJT-NUELNUSPSA-N
MW372.41 g/mol
LogP1.52
Rot. Bonds3

About [(6R,6aS,8R,9R,10aS,10bR)-8,9-dimethoxy-2,2,8,9-tetramethyl-6,6a,10a,10b-tetrahydro-4H-[1,4]dioxino[2,3-h][1,3]benzodioxin-6-yl] acetate

[(6R,6aS,8R,9R,10aS,10bR)-8,9-dimethoxy-2,2,8,9-tetramethyl-6,6a,10a,10b-tetrahydro-4H-[1,4]dioxino[2,3-h][1,3]benzodioxin-6-yl] acetate (PubChem CID 135013877) has the molecular formula C18H28O8 and a molecular weight of 372.41 g/mol. Its IUPAC name is [(6R,6aS,8R,9R,10aS,10bR)-8,9-dimethoxy-2,2,8,9-tetramethyl-6,6a,10a,10b-tetrahydro-4H-[1,4]dioxino[2,3-h][1,3]benzodioxin-6-yl] acetate.

Molecular Properties

Compound Name[(6R,6aS,8R,9R,10aS,10bR)-8,9-dimethoxy-2,2,8,9-tetramethyl-6,6a,10a,10b-tetrahydro-4H-[1,4]dioxino[2,3-h][1,3]benzodioxin-6-yl] acetate
PubChem CID135013877
Molecular FormulaC18H28O8
Molecular Weight372.41 g/mol
Exact Mass372.18
IUPAC Name[(6R,6aS,8R,9R,10aS,10bR)-8,9-dimethoxy-2,2,8,9-tetramethyl-6,6a,10a,10b-tetrahydro-4H-[1,4]dioxino[2,3-h][1,3]benzodioxin-6-yl] acetate
SMILESCO[C@]1(C)O[C@@H]2[C@@H](O[C@@]1(C)OC)[C@H](OC(C)=O)C=C1COC(C)(C)O[C@H]12
InChIInChI=1S/C18H28O8/c1-10(19)23-12-8-11-9-22-16(2,3)24-13(11)15-14(12)25-17(4,20-6)18(5,21-7)26-15/h8,12-15H,9H2,1-7H3/t12-,13-,14+,15+,17-,18-/m1/s1
InChIKeyJLIXZGWSILYNJT-NUELNUSPSA-N
XLogP1.52
TPSA81.68 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.41
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze [(6R,6aS,8R,9R,10aS,10bR)-8,9-dimethoxy-2,2,8,9-tetramethyl-6,6a,10a,10b-tetrahydro-4H-[1,4]dioxino[2,3-h][1,3]benzodioxin-6-yl] acetate with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(6R,6aS,8R,9R,10aS,10bR)-8,9-dimethoxy-2,2,8,9-tetramethyl-6,6a,10a,10b-tetrahydro-4H-[1,4]dioxino[2,3-h][1,3]benzodioxin-6-yl] acetate?
The IUPAC name of [(6R,6aS,8R,9R,10aS,10bR)-8,9-dimethoxy-2,2,8,9-tetramethyl-6,6a,10a,10b-tetrahydro-4H-[1,4]dioxino[2,3-h][1,3]benzodioxin-6-yl] acetate (CID 135013877) is [(6R,6aS,8R,9R,10aS,10bR)-8,9-dimethoxy-2,2,8,9-tetramethyl-6,6a,10a,10b-tetrahydro-4H-[1,4]dioxino[2,3-h][1,3]benzodioxin-6-yl] acetate.
What is the SMILES notation for [(6R,6aS,8R,9R,10aS,10bR)-8,9-dimethoxy-2,2,8,9-tetramethyl-6,6a,10a,10b-tetrahydro-4H-[1,4]dioxino[2,3-h][1,3]benzodioxin-6-yl] acetate?
The canonical SMILES for [(6R,6aS,8R,9R,10aS,10bR)-8,9-dimethoxy-2,2,8,9-tetramethyl-6,6a,10a,10b-tetrahydro-4H-[1,4]dioxino[2,3-h][1,3]benzodioxin-6-yl] acetate is CO[C@]1(C)O[C@@H]2[C@@H](O[C@@]1(C)OC)[C@H](OC(C)=O)C=C1COC(C)(C)O[C@H]12.
What is the InChIKey of [(6R,6aS,8R,9R,10aS,10bR)-8,9-dimethoxy-2,2,8,9-tetramethyl-6,6a,10a,10b-tetrahydro-4H-[1,4]dioxino[2,3-h][1,3]benzodioxin-6-yl] acetate?
The InChIKey is JLIXZGWSILYNJT-NUELNUSPSA-N. The full InChI is InChI=1S/C18H28O8/c1-10(19)23-12-8-11-9-22-16(2,3)24-13(11)15-14(12)25-17(4,20-6)18(5,21-7)26-15/h8,12-15H,9H2,1-7H3/t12-,13-,14+,15+,17-,18-/m1/s1.
What are the key properties of [(6R,6aS,8R,9R,10aS,10bR)-8,9-dimethoxy-2,2,8,9-tetramethyl-6,6a,10a,10b-tetrahydro-4H-[1,4]dioxino[2,3-h][1,3]benzodioxin-6-yl] acetate?
[(6R,6aS,8R,9R,10aS,10bR)-8,9-dimethoxy-2,2,8,9-tetramethyl-6,6a,10a,10b-tetrahydro-4H-[1,4]dioxino[2,3-h][1,3]benzodioxin-6-yl] acetate has a molecular weight of 372.41 g/mol, XLogP of 1.52, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(6R,6aS,8R,9R,10aS,10bR)-8,9-dimethoxy-2,2,8,9-tetramethyl-6,6a,10a,10b-tetrahydro-4H-[1,4]dioxino[2,3-h][1,3]benzodioxin-6-yl] acetate is sourced from PubChem (CID 135013877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).