(4aS,8aS)-2,2,4a-trimethyl-6,7,8,8a-tetrahydro-4H-thiopyrano[3,2-d][1,3]dioxine

C10H18O2S — CID 10888973

IUPAC(4aS,8aS)-2,2,4a-trimethyl-6,7,8,8a-tetrahydro-4H-thiopyrano[3,2-d][1,3]dioxine
SMILESCC1(C)OC[C@]2(C)SCCC[C@@H]2O1
InChIInChI=1S/C10H18O2S/c1-9(2)11-7-10(3)8(12-9)5-4-6-13-10/h8H,4-7H2,1-3H3/t8-,10-/m0/s1
InChIKeyDHEKZMNOOXDPFQ-WPRPVWTQSA-N
MW202.32 g/mol
LogP2.42
Rot. Bonds

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

(4aS,8aS)-2,2,4a-trimethyl-6,7,8,8a-tetrahydro-4H-thiopyrano[3,2-d][1,3]dioxine (PubChem CID 10888973) has the molecular formula C10H18O2S and a molecular weight of 202.32 g/mol. Its IUPAC name is (4aS,8aS)-2,2,4a-trimethyl-6,7,8,8a-tetrahydro-4H-thiopyrano[3,2-d][1,3]dioxine.

Molecular Properties

Compound Name(4aS,8aS)-2,2,4a-trimethyl-6,7,8,8a-tetrahydro-4H-thiopyrano[3,2-d][1,3]dioxine
PubChem CID10888973
Molecular FormulaC10H18O2S
Molecular Weight202.32 g/mol
Exact Mass202.10
IUPAC Name(4aS,8aS)-2,2,4a-trimethyl-6,7,8,8a-tetrahydro-4H-thiopyrano[3,2-d][1,3]dioxine
SMILESCC1(C)OC[C@]2(C)SCCC[C@@H]2O1
InChIInChI=1S/C10H18O2S/c1-9(2)11-7-10(3)8(12-9)5-4-6-13-10/h8H,4-7H2,1-3H3/t8-,10-/m0/s1
InChIKeyDHEKZMNOOXDPFQ-WPRPVWTQSA-N
XLogP2.42
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.32
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4aS,8aS)-2,2,4a-trimethyl-6,7,8,8a-tetrahydro-4H-thiopyrano[3,2-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
(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
3-Propyl-1-(2-prop-2-ynylsulfanylethyl)-2,6,7-trioxabicyclo[2.2.2]octane
CID 88476507
(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
(8S,8aS)-6-ethylsulfanyl-8-methoxy-2,2,7-trimethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine
CID 159990372

Frequently Asked Questions

What is the IUPAC name of (4aS,8aS)-2,2,4a-trimethyl-6,7,8,8a-tetrahydro-4H-thiopyrano[3,2-d][1,3]dioxine?
The IUPAC name of (4aS,8aS)-2,2,4a-trimethyl-6,7,8,8a-tetrahydro-4H-thiopyrano[3,2-d][1,3]dioxine (CID 10888973) is (4aS,8aS)-2,2,4a-trimethyl-6,7,8,8a-tetrahydro-4H-thiopyrano[3,2-d][1,3]dioxine.
What is the SMILES notation for (4aS,8aS)-2,2,4a-trimethyl-6,7,8,8a-tetrahydro-4H-thiopyrano[3,2-d][1,3]dioxine?
The canonical SMILES for (4aS,8aS)-2,2,4a-trimethyl-6,7,8,8a-tetrahydro-4H-thiopyrano[3,2-d][1,3]dioxine is CC1(C)OC[C@]2(C)SCCC[C@@H]2O1.
What is the InChIKey of (4aS,8aS)-2,2,4a-trimethyl-6,7,8,8a-tetrahydro-4H-thiopyrano[3,2-d][1,3]dioxine?
The InChIKey is DHEKZMNOOXDPFQ-WPRPVWTQSA-N. The full InChI is InChI=1S/C10H18O2S/c1-9(2)11-7-10(3)8(12-9)5-4-6-13-10/h8H,4-7H2,1-3H3/t8-,10-/m0/s1.
What are the key properties of (4aS,8aS)-2,2,4a-trimethyl-6,7,8,8a-tetrahydro-4H-thiopyrano[3,2-d][1,3]dioxine?
(4aS,8aS)-2,2,4a-trimethyl-6,7,8,8a-tetrahydro-4H-thiopyrano[3,2-d][1,3]dioxine has a molecular weight of 202.32 g/mol, XLogP of 2.42, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4aS,8aS)-2,2,4a-trimethyl-6,7,8,8a-tetrahydro-4H-thiopyrano[3,2-d][1,3]dioxine is sourced from PubChem (CID 10888973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).