(2R)-4,5-dimethyl-2-(2-methylprop-1-enyl)-3,6-dihydro-2H-thiopyran 1-oxide

C11H18OS — CID 15318730

IUPAC(2R)-4,5-dimethyl-2-(2-methylprop-1-enyl)-3,6-dihydro-2H-thiopyran 1-oxide
SMILESCC(C)=C[C@H]1CC(C)=C(C)CS1=O
InChIInChI=1S/C11H18OS/c1-8(2)5-11-6-9(3)10(4)7-13(11)12/h5,11H,6-7H2,1-4H3/t11-,13?/m0/s1
InChIKeyXHELWVFVTKTPSQ-AMGKYWFPSA-N
MW198.33 g/mol
LogP2.81
Rot. Bonds1

About (2R)-4,5-dimethyl-2-(2-methylprop-1-enyl)-3,6-dihydro-2H-thiopyran 1-oxide

(2R)-4,5-dimethyl-2-(2-methylprop-1-enyl)-3,6-dihydro-2H-thiopyran 1-oxide (PubChem CID 15318730) has the molecular formula C11H18OS and a molecular weight of 198.33 g/mol. Its IUPAC name is (2R)-4,5-dimethyl-2-(2-methylprop-1-enyl)-3,6-dihydro-2H-thiopyran 1-oxide.

Molecular Properties

Compound Name(2R)-4,5-dimethyl-2-(2-methylprop-1-enyl)-3,6-dihydro-2H-thiopyran 1-oxide
PubChem CID15318730
Molecular FormulaC11H18OS
Molecular Weight198.33 g/mol
Exact Mass198.11
IUPAC Name(2R)-4,5-dimethyl-2-(2-methylprop-1-enyl)-3,6-dihydro-2H-thiopyran 1-oxide
SMILESCC(C)=C[C@H]1CC(C)=C(C)CS1=O
InChIInChI=1S/C11H18OS/c1-8(2)5-11-6-9(3)10(4)7-13(11)12/h5,11H,6-7H2,1-4H3/t11-,13?/m0/s1
InChIKeyXHELWVFVTKTPSQ-AMGKYWFPSA-N
XLogP2.81
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.33
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Thiophene, 2,5-dihydro-3-(4-methyl-3-penten-1-yl)-, 1,1-dioxide
CID 74963
(E)-2-(3,7-Dimethyl-2,6-octadienyl)-2,5-dihydro-3-methyl-thiophene 1,1-Dioxide
CID 10061907
(3S)-3-tert-butylsulfonylcyclohexene
CID 10932538
7-Methyl-2,3,4,5-tetrahydrothiepine 1-oxide
CID 12738409
(E)-1-methylsulfinyloct-3-ene
CID 14024908
(2E)-3,7-dimethyl-1-methylsulfonylocta-2,6-diene
CID 56942406
3-(4,8-Dimethylnona-3,7-dien-1-yl)-2,5-dihydro-1H-1lambda~6~-thiophene-1,1-dione
CID 71337813
2,4-Dimethyl-1-(2,2,2-trifluoroethylsulfinyl)cyclohexa-1,4-diene
CID 91326080
3-(4-Methylpent-3-enyl)-2,5-dihydrothiophene
CID 57037159
6-Tert-butylsulfinylhex-1-ene
CID 12385586
6-methyl-3,4-dihydro-2H-thiopyran 1-oxide
CID 12610444
(E)-1-methylsulfinyl-hept-3-ene
CID 14024906

Frequently Asked Questions

What is the IUPAC name of (2R)-4,5-dimethyl-2-(2-methylprop-1-enyl)-3,6-dihydro-2H-thiopyran 1-oxide?
The IUPAC name of (2R)-4,5-dimethyl-2-(2-methylprop-1-enyl)-3,6-dihydro-2H-thiopyran 1-oxide (CID 15318730) is (2R)-4,5-dimethyl-2-(2-methylprop-1-enyl)-3,6-dihydro-2H-thiopyran 1-oxide.
What is the SMILES notation for (2R)-4,5-dimethyl-2-(2-methylprop-1-enyl)-3,6-dihydro-2H-thiopyran 1-oxide?
The canonical SMILES for (2R)-4,5-dimethyl-2-(2-methylprop-1-enyl)-3,6-dihydro-2H-thiopyran 1-oxide is CC(C)=C[C@H]1CC(C)=C(C)CS1=O.
What is the InChIKey of (2R)-4,5-dimethyl-2-(2-methylprop-1-enyl)-3,6-dihydro-2H-thiopyran 1-oxide?
The InChIKey is XHELWVFVTKTPSQ-AMGKYWFPSA-N. The full InChI is InChI=1S/C11H18OS/c1-8(2)5-11-6-9(3)10(4)7-13(11)12/h5,11H,6-7H2,1-4H3/t11-,13?/m0/s1.
What are the key properties of (2R)-4,5-dimethyl-2-(2-methylprop-1-enyl)-3,6-dihydro-2H-thiopyran 1-oxide?
(2R)-4,5-dimethyl-2-(2-methylprop-1-enyl)-3,6-dihydro-2H-thiopyran 1-oxide has a molecular weight of 198.33 g/mol, XLogP of 2.81, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4,5-dimethyl-2-(2-methylprop-1-enyl)-3,6-dihydro-2H-thiopyran 1-oxide is sourced from PubChem (CID 15318730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).