(6S,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-ol

C16H26O7 — CID 44598794

IUPAC(6S,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-ol
SMILESCO[C@]1(C)O[C@@H]2[C@@H](O[C@@]1(C)OC)[C@@H](O)C=C1COC(C)(C)O[C@H]12
InChIInChI=1S/C16H26O7/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/h7,10-13,17H,8H2,1-6H3/t10-,11+,12-,13-,15+,16+/m0/s1
InChIKeyZSJYXGCTXBNIOJ-LQTRTAQESA-N
MW330.38 g/mol
LogP0.95
Rot. Bonds2

About (6S,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-ol

(6S,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-ol (PubChem CID 44598794) has the molecular formula C16H26O7 and a molecular weight of 330.38 g/mol. Its IUPAC name is (6S,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-ol.

Molecular Properties

Compound Name(6S,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-ol
PubChem CID44598794
Molecular FormulaC16H26O7
Molecular Weight330.38 g/mol
Exact Mass330.17
IUPAC Name(6S,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-ol
SMILESCO[C@]1(C)O[C@@H]2[C@@H](O[C@@]1(C)OC)[C@@H](O)C=C1COC(C)(C)O[C@H]12
InChIInChI=1S/C16H26O7/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/h7,10-13,17H,8H2,1-6H3/t10-,11+,12-,13-,15+,16+/m0/s1
InChIKeyZSJYXGCTXBNIOJ-LQTRTAQESA-N
XLogP0.95
TPSA75.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (6S,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-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (6S,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-ol?
The IUPAC name of (6S,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-ol (CID 44598794) is (6S,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-ol.
What is the SMILES notation for (6S,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-ol?
The canonical SMILES for (6S,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-ol is CO[C@]1(C)O[C@@H]2[C@@H](O[C@@]1(C)OC)[C@@H](O)C=C1COC(C)(C)O[C@H]12.
What is the InChIKey of (6S,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-ol?
The InChIKey is ZSJYXGCTXBNIOJ-LQTRTAQESA-N. The full InChI is InChI=1S/C16H26O7/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/h7,10-13,17H,8H2,1-6H3/t10-,11+,12-,13-,15+,16+/m0/s1.
What are the key properties of (6S,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-ol?
(6S,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-ol has a molecular weight of 330.38 g/mol, XLogP of 0.95, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (6S,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-ol is sourced from PubChem (CID 44598794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).