(4aS,8aS)-2,2-dimethyl-4,4a,5,7,8,8a-hexahydrothiopyrano[4,3-d][1,3]dioxine

C9H16O2S — CID 11789964

IUPAC(4aS,8aS)-2,2-dimethyl-4,4a,5,7,8,8a-hexahydrothiopyrano[4,3-d][1,3]dioxine
SMILESCC1(C)OC[C@@H]2CSCC[C@@H]2O1
InChIInChI=1S/C9H16O2S/c1-9(2)10-5-7-6-12-4-3-8(7)11-9/h7-8H,3-6H2,1-2H3/t7-,8+/m1/s1
InChIKeyLQIPSKICVIYYRB-SFYZADRCSA-N
MW188.29 g/mol
LogP1.89
Rot. Bonds

About (4aS,8aS)-2,2-dimethyl-4,4a,5,7,8,8a-hexahydrothiopyrano[4,3-d][1,3]dioxine

(4aS,8aS)-2,2-dimethyl-4,4a,5,7,8,8a-hexahydrothiopyrano[4,3-d][1,3]dioxine (PubChem CID 11789964) has the molecular formula C9H16O2S and a molecular weight of 188.29 g/mol. Its IUPAC name is (4aS,8aS)-2,2-dimethyl-4,4a,5,7,8,8a-hexahydrothiopyrano[4,3-d][1,3]dioxine.

Molecular Properties

Compound Name(4aS,8aS)-2,2-dimethyl-4,4a,5,7,8,8a-hexahydrothiopyrano[4,3-d][1,3]dioxine
PubChem CID11789964
Molecular FormulaC9H16O2S
Molecular Weight188.29 g/mol
Exact Mass188.09
IUPAC Name(4aS,8aS)-2,2-dimethyl-4,4a,5,7,8,8a-hexahydrothiopyrano[4,3-d][1,3]dioxine
SMILESCC1(C)OC[C@@H]2CSCC[C@@H]2O1
InChIInChI=1S/C9H16O2S/c1-9(2)10-5-7-6-12-4-3-8(7)11-9/h7-8H,3-6H2,1-2H3/t7-,8+/m1/s1
InChIKeyLQIPSKICVIYYRB-SFYZADRCSA-N
XLogP1.89
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.29
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4aS,8aS)-2,2-dimethyl-4,4a,5,7,8,8a-hexahydrothiopyrano[4,3-d][1,3]dioxine with MolForge

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Related Compounds

(4S)-4-[(2R)-1-(1,3-dithian-2-yl)propan-2-yl]-2,2-dimethyl-1,3-dioxane
CID 11957838
5-[2-(1,3-Dithian-2-yl)ethyl]-2,2-dimethyl-1,3-dioxane
CID 24977691
(4aS,8aS)-2,2,4a-trimethyl-6,7,8,8a-tetrahydro-4H-thiopyrano[3,2-d][1,3]dioxine
CID 10888973
(4aS,8aS)-2,2-dimethyl-4,4a,6,7,8,8a-hexahydrothiopyrano[3,2-d][1,3]dioxine
CID 10921296
(4aR,8aS)-4,4-dimethyl-6,7,8,8a-tetrahydro-4aH-thiopyrano[3,2-d][1,3]dioxine
CID 11063181
(2S,5R)-4-(1-ethylsulfanylethyl)-2,5-dimethyl-1,3-dioxane
CID 60044311
1-Butyl-8-methyl-2,6-dioxa-7-thiabicyclo[2.2.2]octane
CID 70436440
4-(1-Ethylsulfanylethyl)-2,5-dimethyl-1,3-dioxane
CID 23398533
(2R,5R)-4-(1-ethylsulfanylethyl)-2,5-dimethyl-1,3-dioxane
CID 91468110
(4R,5S,6S)-4-(1,3-dithian-2-yl)-5-ethyl-2,2,6-trimethyl-1,3-dioxane
CID 101436468
(4S,5S,6S)-4-(1,3-dithian-2-yl)-5-ethyl-2,2,6-trimethyl-1,3-dioxane
CID 101436469
(4S,4aR,8aR)-2,2-dimethyl-4-propan-2-yl-4,4a,5,7,8,8a-hexahydrothiopyrano[4,3-d][1,3]dioxine
CID 118855626

Frequently Asked Questions

What is the IUPAC name of (4aS,8aS)-2,2-dimethyl-4,4a,5,7,8,8a-hexahydrothiopyrano[4,3-d][1,3]dioxine?
The IUPAC name of (4aS,8aS)-2,2-dimethyl-4,4a,5,7,8,8a-hexahydrothiopyrano[4,3-d][1,3]dioxine (CID 11789964) is (4aS,8aS)-2,2-dimethyl-4,4a,5,7,8,8a-hexahydrothiopyrano[4,3-d][1,3]dioxine.
What is the SMILES notation for (4aS,8aS)-2,2-dimethyl-4,4a,5,7,8,8a-hexahydrothiopyrano[4,3-d][1,3]dioxine?
The canonical SMILES for (4aS,8aS)-2,2-dimethyl-4,4a,5,7,8,8a-hexahydrothiopyrano[4,3-d][1,3]dioxine is CC1(C)OC[C@@H]2CSCC[C@@H]2O1.
What is the InChIKey of (4aS,8aS)-2,2-dimethyl-4,4a,5,7,8,8a-hexahydrothiopyrano[4,3-d][1,3]dioxine?
The InChIKey is LQIPSKICVIYYRB-SFYZADRCSA-N. The full InChI is InChI=1S/C9H16O2S/c1-9(2)10-5-7-6-12-4-3-8(7)11-9/h7-8H,3-6H2,1-2H3/t7-,8+/m1/s1.
What are the key properties of (4aS,8aS)-2,2-dimethyl-4,4a,5,7,8,8a-hexahydrothiopyrano[4,3-d][1,3]dioxine?
(4aS,8aS)-2,2-dimethyl-4,4a,5,7,8,8a-hexahydrothiopyrano[4,3-d][1,3]dioxine has a molecular weight of 188.29 g/mol, XLogP of 1.89, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4aS,8aS)-2,2-dimethyl-4,4a,5,7,8,8a-hexahydrothiopyrano[4,3-d][1,3]dioxine is sourced from PubChem (CID 11789964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).