(2R,4aR,6S,7R,8R,8aS)-2,6,7,8-tetramethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine

C11H20O3 — CID 58743215

IUPAC(2R,4aR,6S,7R,8R,8aS)-2,6,7,8-tetramethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine
SMILESC[C@@H]1OC[C@H]2O[C@@H](C)[C@H](C)[C@@H](C)[C@@H]2O1
InChIInChI=1S/C11H20O3/c1-6-7(2)11-10(13-8(6)3)5-12-9(4)14-11/h6-11H,5H2,1-4H3/t6-,7-,8+,9-,10-,11+/m1/s1
InChIKeyAMQXKCHTBCYYOT-PMXSCFQLSA-N
MW200.28 g/mol
LogP1.81
Rot. Bonds

About (2R,4aR,6S,7R,8R,8aS)-2,6,7,8-tetramethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine

(2R,4aR,6S,7R,8R,8aS)-2,6,7,8-tetramethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine (PubChem CID 58743215) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is (2R,4aR,6S,7R,8R,8aS)-2,6,7,8-tetramethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine.

Molecular Properties

Compound Name(2R,4aR,6S,7R,8R,8aS)-2,6,7,8-tetramethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine
PubChem CID58743215
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Name(2R,4aR,6S,7R,8R,8aS)-2,6,7,8-tetramethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine
SMILESC[C@@H]1OC[C@H]2O[C@@H](C)[C@H](C)[C@@H](C)[C@@H]2O1
InChIInChI=1S/C11H20O3/c1-6-7(2)11-10(13-8(6)3)5-12-9(4)14-11/h6-11H,5H2,1-4H3/t6-,7-,8+,9-,10-,11+/m1/s1
InChIKeyAMQXKCHTBCYYOT-PMXSCFQLSA-N
XLogP1.81
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (2R,4aR,6S,7R,8R,8aS)-2,6,7,8-tetramethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine with MolForge

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Related Compounds

[(6S,8R,8aS)-6,7,8-trimethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-2-yl]-methylphosphanylphosphane
CID 159656457
[[(6R,8R,8aS)-2,6,7-trimethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy-methylboranyl]phosphane
CID 160943298
2-methyl-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxine-6,7-diol
CID 171620816
(2R,4aS,6S,7R,8S,8aS)-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-6,7,8-triol
CID 124811135
(4aR,6R,7R,8R,8aS)-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-6,7,8-triol
CID 54419182
2,6-dimethyl-7,8-bis(trioxidanylsulfanyloxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine
CID 59034156
(2S,4R)-2-[(4R)-2-methyl-1,3-dioxolan-4-yl]oxolane-3,4-diol
CID 129085380
(4aR,6S,7S,8R,8aR)-7,8-dimethoxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-ol
CID 56632590
(5R)-2,3,4,5,6-pentamethyloxane
CID 59269885
(4aR,7S,8R,8aS)-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol
CID 91271052
(2S,4R,4aR,6S,8aR)-2,6-dimethyl-4-prop-2-ynyl-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxine
CID 10353126
(4aR,6S,7R,8S,8aS)-6-methoxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol
CID 102240590

Frequently Asked Questions

What is the IUPAC name of (2R,4aR,6S,7R,8R,8aS)-2,6,7,8-tetramethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine?
The IUPAC name of (2R,4aR,6S,7R,8R,8aS)-2,6,7,8-tetramethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine (CID 58743215) is (2R,4aR,6S,7R,8R,8aS)-2,6,7,8-tetramethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine.
What is the SMILES notation for (2R,4aR,6S,7R,8R,8aS)-2,6,7,8-tetramethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine?
The canonical SMILES for (2R,4aR,6S,7R,8R,8aS)-2,6,7,8-tetramethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine is C[C@@H]1OC[C@H]2O[C@@H](C)[C@H](C)[C@@H](C)[C@@H]2O1.
What is the InChIKey of (2R,4aR,6S,7R,8R,8aS)-2,6,7,8-tetramethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine?
The InChIKey is AMQXKCHTBCYYOT-PMXSCFQLSA-N. The full InChI is InChI=1S/C11H20O3/c1-6-7(2)11-10(13-8(6)3)5-12-9(4)14-11/h6-11H,5H2,1-4H3/t6-,7-,8+,9-,10-,11+/m1/s1.
What are the key properties of (2R,4aR,6S,7R,8R,8aS)-2,6,7,8-tetramethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine?
(2R,4aR,6S,7R,8R,8aS)-2,6,7,8-tetramethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine has a molecular weight of 200.28 g/mol, XLogP of 1.81, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4aR,6S,7R,8R,8aS)-2,6,7,8-tetramethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine is sourced from PubChem (CID 58743215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).