(4aR)-8-methyl-6-phenyl-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3,2]dioxathiine 2,2-dioxide

C12H14O6S — CID 59911486

IUPAC(4aR)-8-methyl-6-phenyl-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3,2]dioxathiine 2,2-dioxide
SMILESCC1OC(c2ccccc2)O[C@@H]2COS(=O)(=O)OC12
InChIInChI=1S/C12H14O6S/c1-8-11-10(7-15-19(13,14)18-11)17-12(16-8)9-5-3-2-4-6-9/h2-6,8,10-12H,7H2,1H3/t8?,10-,11?,12?/m1/s1
InChIKeyKWPWINZZFRFZMN-FUZLUDJNSA-N
MW286.31 g/mol
LogP1.15
Rot. Bonds1

About (4aR)-8-methyl-6-phenyl-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3,2]dioxathiine 2,2-dioxide

(4aR)-8-methyl-6-phenyl-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3,2]dioxathiine 2,2-dioxide (PubChem CID 59911486) has the molecular formula C12H14O6S and a molecular weight of 286.31 g/mol. Its IUPAC name is (4aR)-8-methyl-6-phenyl-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3,2]dioxathiine 2,2-dioxide.

Molecular Properties

Compound Name(4aR)-8-methyl-6-phenyl-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3,2]dioxathiine 2,2-dioxide
PubChem CID59911486
Molecular FormulaC12H14O6S
Molecular Weight286.31 g/mol
Exact Mass286.05
IUPAC Name(4aR)-8-methyl-6-phenyl-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3,2]dioxathiine 2,2-dioxide
SMILESCC1OC(c2ccccc2)O[C@@H]2COS(=O)(=O)OC12
InChIInChI=1S/C12H14O6S/c1-8-11-10(7-15-19(13,14)18-11)17-12(16-8)9-5-3-2-4-6-9/h2-6,8,10-12H,7H2,1H3/t8?,10-,11?,12?/m1/s1
InChIKeyKWPWINZZFRFZMN-FUZLUDJNSA-N
XLogP1.15
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (4aR)-8-methyl-6-phenyl-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3,2]dioxathiine 2,2-dioxide with MolForge

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Related Compounds

(4R,4aS)-4-methyl-6-phenyl-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3,2]dioxathiine 2,2-dioxide
CID 89332638
(4S)-4,5-dimethyl-2-phenyl-1,3-dioxolane
CID 68508640
(2R,4R,4aS,7aS)-4-methyl-2-phenyl-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxin-6-ol
CID 11128285
(2R,4R,5R,7R,10R)-5-methyl-10-phenyl-3,6,9,11-tetraoxatricyclo[5.4.0.02,4]undecane
CID 118103900
4,12-diphenyl-3,5,8,11,13-pentaoxatricyclo[7.4.0.02,6]tridecane
CID 630953
(2S,4aR,7R,8R,8aR)-6-methyl-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol
CID 11414442
(2S,4R,4aR,6R,8aS)-2,6-diphenyl-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxine-4-carbaldehyde
CID 680159
5-phenyl-1,3,2-dioxathiane 2,2-dioxide
CID 54003491
(2S,6S)-4-ethyl-2,6-diphenyl-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxine
CID 134171336
(1R,2R,4R,7S,9R,12R)-4,12-diphenyl-3,5,8,11,13-pentaoxatricyclo[7.4.0.02,7]tridecane
CID 15481441
(3aR)-5,5-difluoro-2-phenyl-3a,4,6,6a-tetrahydrocyclopenta[d][1,3]dioxole
CID 146554518
(3aS,6aR)-2-phenyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole-4-carbaldehyde
CID 146554515

Frequently Asked Questions

What is the IUPAC name of (4aR)-8-methyl-6-phenyl-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3,2]dioxathiine 2,2-dioxide?
The IUPAC name of (4aR)-8-methyl-6-phenyl-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3,2]dioxathiine 2,2-dioxide (CID 59911486) is (4aR)-8-methyl-6-phenyl-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3,2]dioxathiine 2,2-dioxide.
What is the SMILES notation for (4aR)-8-methyl-6-phenyl-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3,2]dioxathiine 2,2-dioxide?
The canonical SMILES for (4aR)-8-methyl-6-phenyl-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3,2]dioxathiine 2,2-dioxide is CC1OC(c2ccccc2)O[C@@H]2COS(=O)(=O)OC12.
What is the InChIKey of (4aR)-8-methyl-6-phenyl-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3,2]dioxathiine 2,2-dioxide?
The InChIKey is KWPWINZZFRFZMN-FUZLUDJNSA-N. The full InChI is InChI=1S/C12H14O6S/c1-8-11-10(7-15-19(13,14)18-11)17-12(16-8)9-5-3-2-4-6-9/h2-6,8,10-12H,7H2,1H3/t8?,10-,11?,12?/m1/s1.
What are the key properties of (4aR)-8-methyl-6-phenyl-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3,2]dioxathiine 2,2-dioxide?
(4aR)-8-methyl-6-phenyl-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3,2]dioxathiine 2,2-dioxide has a molecular weight of 286.31 g/mol, XLogP of 1.15, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR)-8-methyl-6-phenyl-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3,2]dioxathiine 2,2-dioxide is sourced from PubChem (CID 59911486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).