(4aR,8aS)-4,4-dimethyl-6,7,8,8a-tetrahydro-4aH-thiopyrano[3,2-d][1,3]dioxine

C9H16O2S — CID 11063181

IUPAC(4aR,8aS)-4,4-dimethyl-6,7,8,8a-tetrahydro-4aH-thiopyrano[3,2-d][1,3]dioxine
SMILESCC1(C)OCO[C@H]2CCCS[C@H]21
InChIInChI=1S/C9H16O2S/c1-9(2)8-7(10-6-11-9)4-3-5-12-8/h7-8H,3-6H2,1-2H3/t7-,8+/m0/s1
InChIKeyWTTPAAYPHYSLLR-JGVFFNPUSA-N
MW188.29 g/mol
LogP2.03
Rot. Bonds

About (4aR,8aS)-4,4-dimethyl-6,7,8,8a-tetrahydro-4aH-thiopyrano[3,2-d][1,3]dioxine

(4aR,8aS)-4,4-dimethyl-6,7,8,8a-tetrahydro-4aH-thiopyrano[3,2-d][1,3]dioxine (PubChem CID 11063181) has the molecular formula C9H16O2S and a molecular weight of 188.29 g/mol. Its IUPAC name is (4aR,8aS)-4,4-dimethyl-6,7,8,8a-tetrahydro-4aH-thiopyrano[3,2-d][1,3]dioxine.

Molecular Properties

Compound Name(4aR,8aS)-4,4-dimethyl-6,7,8,8a-tetrahydro-4aH-thiopyrano[3,2-d][1,3]dioxine
PubChem CID11063181
Molecular FormulaC9H16O2S
Molecular Weight188.29 g/mol
Exact Mass188.09
IUPAC Name(4aR,8aS)-4,4-dimethyl-6,7,8,8a-tetrahydro-4aH-thiopyrano[3,2-d][1,3]dioxine
SMILESCC1(C)OCO[C@H]2CCCS[C@H]21
InChIInChI=1S/C9H16O2S/c1-9(2)8-7(10-6-11-9)4-3-5-12-8/h7-8H,3-6H2,1-2H3/t7-,8+/m0/s1
InChIKeyWTTPAAYPHYSLLR-JGVFFNPUSA-N
XLogP2.03
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 ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4aR,8aS)-4,4-dimethyl-6,7,8,8a-tetrahydro-4aH-thiopyrano[3,2-d][1,3]dioxine with MolForge

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Related Compounds

2-(5-chloro-2,3,4,6,7,8,9,9a-octahydro-1H-thiopyrano[1,2-a]thiopyran-4-yl)propan-2-yl ethyl carbonate
CID 134927395
2-(2,3,4,6,7,8,9,9a-octahydro-1H-thiopyrano[1,2-a]thiopyran-5-ium-4-yl)propan-2-yl ethyl carbonate chloride
CID 176443683
(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,5,7,8,8a-hexahydrothiopyrano[4,3-d][1,3]dioxine
CID 11789964
(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
2-(2,3,4,6,7,8,9,9a-octahydro-1H-thiopyrano[1,2-a]thiopyran-5-ium-4-yl)propan-2-yl ethyl carbonate
CID 176443684

Frequently Asked Questions

What is the IUPAC name of (4aR,8aS)-4,4-dimethyl-6,7,8,8a-tetrahydro-4aH-thiopyrano[3,2-d][1,3]dioxine?
The IUPAC name of (4aR,8aS)-4,4-dimethyl-6,7,8,8a-tetrahydro-4aH-thiopyrano[3,2-d][1,3]dioxine (CID 11063181) is (4aR,8aS)-4,4-dimethyl-6,7,8,8a-tetrahydro-4aH-thiopyrano[3,2-d][1,3]dioxine.
What is the SMILES notation for (4aR,8aS)-4,4-dimethyl-6,7,8,8a-tetrahydro-4aH-thiopyrano[3,2-d][1,3]dioxine?
The canonical SMILES for (4aR,8aS)-4,4-dimethyl-6,7,8,8a-tetrahydro-4aH-thiopyrano[3,2-d][1,3]dioxine is CC1(C)OCO[C@H]2CCCS[C@H]21.
What is the InChIKey of (4aR,8aS)-4,4-dimethyl-6,7,8,8a-tetrahydro-4aH-thiopyrano[3,2-d][1,3]dioxine?
The InChIKey is WTTPAAYPHYSLLR-JGVFFNPUSA-N. The full InChI is InChI=1S/C9H16O2S/c1-9(2)8-7(10-6-11-9)4-3-5-12-8/h7-8H,3-6H2,1-2H3/t7-,8+/m0/s1.
What are the key properties of (4aR,8aS)-4,4-dimethyl-6,7,8,8a-tetrahydro-4aH-thiopyrano[3,2-d][1,3]dioxine?
(4aR,8aS)-4,4-dimethyl-6,7,8,8a-tetrahydro-4aH-thiopyrano[3,2-d][1,3]dioxine has a molecular weight of 188.29 g/mol, XLogP of 2.03, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR,8aS)-4,4-dimethyl-6,7,8,8a-tetrahydro-4aH-thiopyrano[3,2-d][1,3]dioxine is sourced from PubChem (CID 11063181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).