2-ethylsulfanyl-2,6,7-trimethyl-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran

C11H20O3S — CID 20736456

IUPAC2-ethylsulfanyl-2,6,7-trimethyl-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran
SMILESCCSC1(C)OC2OCC(C)C(C)C2O1
InChIInChI=1S/C11H20O3S/c1-5-15-11(4)13-9-8(3)7(2)6-12-10(9)14-11/h7-10H,5-6H2,1-4H3
InChIKeyMDMXMFPLVTUMNT-UHFFFAOYSA-N
MW232.34 g/mol
LogP2.46
Rot. Bonds2

About 2-ethylsulfanyl-2,6,7-trimethyl-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran

2-ethylsulfanyl-2,6,7-trimethyl-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran (PubChem CID 20736456) has the molecular formula C11H20O3S and a molecular weight of 232.34 g/mol. Its IUPAC name is 2-ethylsulfanyl-2,6,7-trimethyl-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran.

Molecular Properties

Compound Name2-ethylsulfanyl-2,6,7-trimethyl-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran
PubChem CID20736456
Molecular FormulaC11H20O3S
Molecular Weight232.34 g/mol
Exact Mass232.11
IUPAC Name2-ethylsulfanyl-2,6,7-trimethyl-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran
SMILESCCSC1(C)OC2OCC(C)C(C)C2O1
InChIInChI=1S/C11H20O3S/c1-5-15-11(4)13-9-8(3)7(2)6-12-10(9)14-11/h7-10H,5-6H2,1-4H3
InChIKeyMDMXMFPLVTUMNT-UHFFFAOYSA-N
XLogP2.46
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.34
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-ethylsulfanyl-2,6,7-trimethyl-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran with MolForge

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Related Compounds

2,6,7-trimethyl-2-nitroso-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran
CID 91191497
[(3R,4R)-3,4,5-trimethyloxan-2-yl]methanol
CID 58400213
(6R,7S,7aR)-2,2-dimethyl-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran-6,7-diol
CID 55250433
3,6-dimethyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 22082039
(3S,6R,6aR)-3,6-dimethyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 168912924
(3S,3aR,6R,6aS)-3,6-dimethyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 59997534
2,3,4,5-tetramethyloxane
CID 18714557
(2S,3S,4R,5S)-2,3,4,5-tetramethyloxane
CID 25166630
(3R,4S)-2,3,4,5-tetramethyloxane
CID 126680874
(4R,6S)-2,2,5-trimethyl-4-[(4R,5R)-2,2,5-trimethyl-1,3-dioxan-4-yl]-6-[(4S,5S)-2,2,5-trimethyl-1,3-dioxan-4-yl]-1,3-dioxane
CID 11003579
(6R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane
CID 134854494
(2R,3R,4S)-2-[(2S)-butan-2-yl]-3,4-dimethyloxolane
CID 130283506

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-2,6,7-trimethyl-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran?
The IUPAC name of 2-ethylsulfanyl-2,6,7-trimethyl-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran (CID 20736456) is 2-ethylsulfanyl-2,6,7-trimethyl-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran.
What is the SMILES notation for 2-ethylsulfanyl-2,6,7-trimethyl-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran?
The canonical SMILES for 2-ethylsulfanyl-2,6,7-trimethyl-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran is CCSC1(C)OC2OCC(C)C(C)C2O1.
What is the InChIKey of 2-ethylsulfanyl-2,6,7-trimethyl-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran?
The InChIKey is MDMXMFPLVTUMNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O3S/c1-5-15-11(4)13-9-8(3)7(2)6-12-10(9)14-11/h7-10H,5-6H2,1-4H3.
What are the key properties of 2-ethylsulfanyl-2,6,7-trimethyl-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran?
2-ethylsulfanyl-2,6,7-trimethyl-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran has a molecular weight of 232.34 g/mol, XLogP of 2.46, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-2,6,7-trimethyl-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran is sourced from PubChem (CID 20736456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).