(6R,8aR)-6-methoxy-7-methyl-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol

C15H20O5 — CID 59932091

IUPAC(6R,8aR)-6-methoxy-7-methyl-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol
SMILESCO[C@@H]1OC2COC(c3ccccc3)O[C@@H]2C(O)C1C
InChIInChI=1S/C15H20O5/c1-9-12(16)13-11(19-14(9)17-2)8-18-15(20-13)10-6-4-3-5-7-10/h3-7,9,11-16H,8H2,1-2H3/t9?,11?,12?,13-,14+,15?/m0/s1
InChIKeyLTIJSBJNBACWEN-NPQKNTIDSA-N
MW280.32 g/mol
LogP1.47
Rot. Bonds2

About (6R,8aR)-6-methoxy-7-methyl-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol

(6R,8aR)-6-methoxy-7-methyl-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol (PubChem CID 59932091) has the molecular formula C15H20O5 and a molecular weight of 280.32 g/mol. Its IUPAC name is (6R,8aR)-6-methoxy-7-methyl-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol.

Molecular Properties

Compound Name(6R,8aR)-6-methoxy-7-methyl-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol
PubChem CID59932091
Molecular FormulaC15H20O5
Molecular Weight280.32 g/mol
Exact Mass280.13
IUPAC Name(6R,8aR)-6-methoxy-7-methyl-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol
SMILESCO[C@@H]1OC2COC(c3ccccc3)O[C@@H]2C(O)C1C
InChIInChI=1S/C15H20O5/c1-9-12(16)13-11(19-14(9)17-2)8-18-15(20-13)10-6-4-3-5-7-10/h3-7,9,11-16H,8H2,1-2H3/t9?,11?,12?,13-,14+,15?/m0/s1
InChIKeyLTIJSBJNBACWEN-NPQKNTIDSA-N
XLogP1.47
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (6R,8aR)-6-methoxy-7-methyl-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol?
The IUPAC name of (6R,8aR)-6-methoxy-7-methyl-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol (CID 59932091) is (6R,8aR)-6-methoxy-7-methyl-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol.
What is the SMILES notation for (6R,8aR)-6-methoxy-7-methyl-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol?
The canonical SMILES for (6R,8aR)-6-methoxy-7-methyl-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol is CO[C@@H]1OC2COC(c3ccccc3)O[C@@H]2C(O)C1C.
What is the InChIKey of (6R,8aR)-6-methoxy-7-methyl-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol?
The InChIKey is LTIJSBJNBACWEN-NPQKNTIDSA-N. The full InChI is InChI=1S/C15H20O5/c1-9-12(16)13-11(19-14(9)17-2)8-18-15(20-13)10-6-4-3-5-7-10/h3-7,9,11-16H,8H2,1-2H3/t9?,11?,12?,13-,14+,15?/m0/s1.
What are the key properties of (6R,8aR)-6-methoxy-7-methyl-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol?
(6R,8aR)-6-methoxy-7-methyl-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol has a molecular weight of 280.32 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,8aR)-6-methoxy-7-methyl-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol is sourced from PubChem (CID 59932091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).