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

C16H24O7 — CID 44597665

IUPAC(6aR,8R,9R,10aS,10bR)-8,9-dimethoxy-2,2,8,9-tetramethyl-4,6a,10a,10b-tetrahydro-[1,4]dioxino[2,3-h][1,3]benzodioxin-6-one
SMILESCO[C@]1(C)O[C@H]2[C@@H]3OC(C)(C)OCC3=CC(=O)[C@@H]2O[C@@]1(C)OC
InChIInChI=1S/C16H24O7/c1-14(2)20-8-9-7-10(17)12-13(11(9)21-14)23-16(4,19-6)15(3,18-5)22-12/h7,11-13H,8H2,1-6H3/t11-,12+,13+,15-,16-/m1/s1
InChIKeyWXGLEUFDUQHNBL-YCLREWFLSA-N
MW328.36 g/mol
LogP1.16
Rot. Bonds2

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

(6aR,8R,9R,10aS,10bR)-8,9-dimethoxy-2,2,8,9-tetramethyl-4,6a,10a,10b-tetrahydro-[1,4]dioxino[2,3-h][1,3]benzodioxin-6-one (PubChem CID 44597665) has the molecular formula C16H24O7 and a molecular weight of 328.36 g/mol. Its IUPAC name is (6aR,8R,9R,10aS,10bR)-8,9-dimethoxy-2,2,8,9-tetramethyl-4,6a,10a,10b-tetrahydro-[1,4]dioxino[2,3-h][1,3]benzodioxin-6-one.

Molecular Properties

Compound Name(6aR,8R,9R,10aS,10bR)-8,9-dimethoxy-2,2,8,9-tetramethyl-4,6a,10a,10b-tetrahydro-[1,4]dioxino[2,3-h][1,3]benzodioxin-6-one
PubChem CID44597665
Molecular FormulaC16H24O7
Molecular Weight328.36 g/mol
Exact Mass328.15
IUPAC Name(6aR,8R,9R,10aS,10bR)-8,9-dimethoxy-2,2,8,9-tetramethyl-4,6a,10a,10b-tetrahydro-[1,4]dioxino[2,3-h][1,3]benzodioxin-6-one
SMILESCO[C@]1(C)O[C@H]2[C@@H]3OC(C)(C)OCC3=CC(=O)[C@@H]2O[C@@]1(C)OC
InChIInChI=1S/C16H24O7/c1-14(2)20-8-9-7-10(17)12-13(11(9)21-14)23-16(4,19-6)15(3,18-5)22-12/h7,11-13H,8H2,1-6H3/t11-,12+,13+,15-,16-/m1/s1
InChIKeyWXGLEUFDUQHNBL-YCLREWFLSA-N
XLogP1.16
TPSA72.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.36
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Frequently Asked Questions

What is the IUPAC name of (6aR,8R,9R,10aS,10bR)-8,9-dimethoxy-2,2,8,9-tetramethyl-4,6a,10a,10b-tetrahydro-[1,4]dioxino[2,3-h][1,3]benzodioxin-6-one?
The IUPAC name of (6aR,8R,9R,10aS,10bR)-8,9-dimethoxy-2,2,8,9-tetramethyl-4,6a,10a,10b-tetrahydro-[1,4]dioxino[2,3-h][1,3]benzodioxin-6-one (CID 44597665) is (6aR,8R,9R,10aS,10bR)-8,9-dimethoxy-2,2,8,9-tetramethyl-4,6a,10a,10b-tetrahydro-[1,4]dioxino[2,3-h][1,3]benzodioxin-6-one.
What is the SMILES notation for (6aR,8R,9R,10aS,10bR)-8,9-dimethoxy-2,2,8,9-tetramethyl-4,6a,10a,10b-tetrahydro-[1,4]dioxino[2,3-h][1,3]benzodioxin-6-one?
The canonical SMILES for (6aR,8R,9R,10aS,10bR)-8,9-dimethoxy-2,2,8,9-tetramethyl-4,6a,10a,10b-tetrahydro-[1,4]dioxino[2,3-h][1,3]benzodioxin-6-one is CO[C@]1(C)O[C@H]2[C@@H]3OC(C)(C)OCC3=CC(=O)[C@@H]2O[C@@]1(C)OC.
What is the InChIKey of (6aR,8R,9R,10aS,10bR)-8,9-dimethoxy-2,2,8,9-tetramethyl-4,6a,10a,10b-tetrahydro-[1,4]dioxino[2,3-h][1,3]benzodioxin-6-one?
The InChIKey is WXGLEUFDUQHNBL-YCLREWFLSA-N. The full InChI is InChI=1S/C16H24O7/c1-14(2)20-8-9-7-10(17)12-13(11(9)21-14)23-16(4,19-6)15(3,18-5)22-12/h7,11-13H,8H2,1-6H3/t11-,12+,13+,15-,16-/m1/s1.
What are the key properties of (6aR,8R,9R,10aS,10bR)-8,9-dimethoxy-2,2,8,9-tetramethyl-4,6a,10a,10b-tetrahydro-[1,4]dioxino[2,3-h][1,3]benzodioxin-6-one?
(6aR,8R,9R,10aS,10bR)-8,9-dimethoxy-2,2,8,9-tetramethyl-4,6a,10a,10b-tetrahydro-[1,4]dioxino[2,3-h][1,3]benzodioxin-6-one has a molecular weight of 328.36 g/mol, XLogP of 1.16, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (6aR,8R,9R,10aS,10bR)-8,9-dimethoxy-2,2,8,9-tetramethyl-4,6a,10a,10b-tetrahydro-[1,4]dioxino[2,3-h][1,3]benzodioxin-6-one is sourced from PubChem (CID 44597665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).