(4aR,8S,8aS)-4a-methoxy-2,2-dimethyl-8,8a-dihydro-4H-pyrano[3,2-d][1,3]dioxin-8-ol

C10H16O5 — CID 102092361

IUPAC(4aR,8S,8aS)-4a-methoxy-2,2-dimethyl-8,8a-dihydro-4H-pyrano[3,2-d][1,3]dioxin-8-ol
SMILESCO[C@@]12COC(C)(C)O[C@H]1[C@@H](O)C=CO2
InChIInChI=1S/C10H16O5/c1-9(2)14-6-10(12-3)8(15-9)7(11)4-5-13-10/h4-5,7-8,11H,6H2,1-3H3/t7-,8-,10+/m0/s1
InChIKeyDEIKOBZINPHQJO-OYNCUSHFSA-N
MW216.23 g/mol
LogP0.39
Rot. Bonds1

About (4aR,8S,8aS)-4a-methoxy-2,2-dimethyl-8,8a-dihydro-4H-pyrano[3,2-d][1,3]dioxin-8-ol

(4aR,8S,8aS)-4a-methoxy-2,2-dimethyl-8,8a-dihydro-4H-pyrano[3,2-d][1,3]dioxin-8-ol (PubChem CID 102092361) has the molecular formula C10H16O5 and a molecular weight of 216.23 g/mol. Its IUPAC name is (4aR,8S,8aS)-4a-methoxy-2,2-dimethyl-8,8a-dihydro-4H-pyrano[3,2-d][1,3]dioxin-8-ol.

Molecular Properties

Compound Name(4aR,8S,8aS)-4a-methoxy-2,2-dimethyl-8,8a-dihydro-4H-pyrano[3,2-d][1,3]dioxin-8-ol
PubChem CID102092361
Molecular FormulaC10H16O5
Molecular Weight216.23 g/mol
Exact Mass216.10
IUPAC Name(4aR,8S,8aS)-4a-methoxy-2,2-dimethyl-8,8a-dihydro-4H-pyrano[3,2-d][1,3]dioxin-8-ol
SMILESCO[C@@]12COC(C)(C)O[C@H]1[C@@H](O)C=CO2
InChIInChI=1S/C10H16O5/c1-9(2)14-6-10(12-3)8(15-9)7(11)4-5-13-10/h4-5,7-8,11H,6H2,1-3H3/t7-,8-,10+/m0/s1
InChIKeyDEIKOBZINPHQJO-OYNCUSHFSA-N
XLogP0.39
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.23
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (4aR,8S,8aS)-4a-methoxy-2,2-dimethyl-8,8a-dihydro-4H-pyrano[3,2-d][1,3]dioxin-8-ol with MolForge

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Related Compounds

(3aR,4aR,5R,8aR,8bR)-8a-methoxy-2,2-dimethyl-8-methylidene-3a,4a,5,8b-tetrahydro-[1,3]dioxolo[4,5-b][1]benzofuran-5-ol
CID 135062532
(2S,3R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,3-dihydrofuran-3-ol
CID 11030522
2,2-dimethyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3]dioxin-8-ol
CID 14332317
2,2-dimethyl-4H-1,3-dioxin-4-ol
CID 70466682
(1S,2S,7S,10R,12R,13R)-7-hydroxy-12,13-dimethoxy-4,4,12,13-tetramethyl-3,5,11,14-tetraoxatricyclo[8.4.0.02,7]tetradecan-9-one
CID 25099103
2,2,3a-trimethyl-6,6a-dihydro-5H-furo[2,3-d][1,3]dioxol-6-ol
CID 13122571
(3'aS,4R,7'R,7'aS)-2,2,2',2'-tetramethylspiro[1,3-dioxolane-4,4'-3a,6,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran]-7'-ol
CID 101152992
(1R,4S,5R)-1-methoxy-2-oxabicyclo[3.2.0]heptan-4-ol
CID 130977558
[(3aR,7aR)-4-(hydroxymethyl)-2,2-dimethyl-3a,7a-dihydro-[1,3]dioxolo[4,5-c]pyran-4-yl]methanol
CID 166975647
(3aS,4S,7S,7aS)-2,2-dimethyl-3a,4,7,7a-tetrahydro-1,3-benzodioxole-4,7-diol
CID 14185483
(3aR,6S,6aS)-6-hydroxy-2,2-dimethyl-6,6a-dihydrocyclopenta[d][1,3]dioxole-3a-carbaldehyde
CID 102385498
(2S,5R)-2,5-dimethoxy-5-methyl-2H-furan
CID 7171182

Frequently Asked Questions

What is the IUPAC name of (4aR,8S,8aS)-4a-methoxy-2,2-dimethyl-8,8a-dihydro-4H-pyrano[3,2-d][1,3]dioxin-8-ol?
The IUPAC name of (4aR,8S,8aS)-4a-methoxy-2,2-dimethyl-8,8a-dihydro-4H-pyrano[3,2-d][1,3]dioxin-8-ol (CID 102092361) is (4aR,8S,8aS)-4a-methoxy-2,2-dimethyl-8,8a-dihydro-4H-pyrano[3,2-d][1,3]dioxin-8-ol.
What is the SMILES notation for (4aR,8S,8aS)-4a-methoxy-2,2-dimethyl-8,8a-dihydro-4H-pyrano[3,2-d][1,3]dioxin-8-ol?
The canonical SMILES for (4aR,8S,8aS)-4a-methoxy-2,2-dimethyl-8,8a-dihydro-4H-pyrano[3,2-d][1,3]dioxin-8-ol is CO[C@@]12COC(C)(C)O[C@H]1[C@@H](O)C=CO2.
What is the InChIKey of (4aR,8S,8aS)-4a-methoxy-2,2-dimethyl-8,8a-dihydro-4H-pyrano[3,2-d][1,3]dioxin-8-ol?
The InChIKey is DEIKOBZINPHQJO-OYNCUSHFSA-N. The full InChI is InChI=1S/C10H16O5/c1-9(2)14-6-10(12-3)8(15-9)7(11)4-5-13-10/h4-5,7-8,11H,6H2,1-3H3/t7-,8-,10+/m0/s1.
What are the key properties of (4aR,8S,8aS)-4a-methoxy-2,2-dimethyl-8,8a-dihydro-4H-pyrano[3,2-d][1,3]dioxin-8-ol?
(4aR,8S,8aS)-4a-methoxy-2,2-dimethyl-8,8a-dihydro-4H-pyrano[3,2-d][1,3]dioxin-8-ol has a molecular weight of 216.23 g/mol, XLogP of 0.39, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR,8S,8aS)-4a-methoxy-2,2-dimethyl-8,8a-dihydro-4H-pyrano[3,2-d][1,3]dioxin-8-ol is sourced from PubChem (CID 102092361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).