(4S)-2,2,4-trimethyl-4-(2-propan-2-ylsulfanylethyl)-1,3-dioxolane

C11H22O2S — CID 14849539

IUPAC(4S)-2,2,4-trimethyl-4-(2-propan-2-ylsulfanylethyl)-1,3-dioxolane
SMILESCC(C)SCC[C@@]1(C)COC(C)(C)O1
InChIInChI=1S/C11H22O2S/c1-9(2)14-7-6-11(5)8-12-10(3,4)13-11/h9H,6-8H2,1-5H3/t11-/m0/s1
InChIKeyXXVXZYAKSRSASB-NSHDSACASA-N
MW218.36 g/mol
LogP3.06
Rot. Bonds4

About (4S)-2,2,4-trimethyl-4-(2-propan-2-ylsulfanylethyl)-1,3-dioxolane

(4S)-2,2,4-trimethyl-4-(2-propan-2-ylsulfanylethyl)-1,3-dioxolane (PubChem CID 14849539) has the molecular formula C11H22O2S and a molecular weight of 218.36 g/mol. Its IUPAC name is (4S)-2,2,4-trimethyl-4-(2-propan-2-ylsulfanylethyl)-1,3-dioxolane.

Molecular Properties

Compound Name(4S)-2,2,4-trimethyl-4-(2-propan-2-ylsulfanylethyl)-1,3-dioxolane
PubChem CID14849539
Molecular FormulaC11H22O2S
Molecular Weight218.36 g/mol
Exact Mass218.13
IUPAC Name(4S)-2,2,4-trimethyl-4-(2-propan-2-ylsulfanylethyl)-1,3-dioxolane
SMILESCC(C)SCC[C@@]1(C)COC(C)(C)O1
InChIInChI=1S/C11H22O2S/c1-9(2)14-7-6-11(5)8-12-10(3,4)13-11/h9H,6-8H2,1-5H3/t11-/m0/s1
InChIKeyXXVXZYAKSRSASB-NSHDSACASA-N
XLogP3.06
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.36
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4S)-2,2,4-trimethyl-4-(2-propan-2-ylsulfanylethyl)-1,3-dioxolane with MolForge

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Related Compounds

1,3-Dioxolane, 2-(2-(ethylthio)-1-methylethyl)-2-methyl-
CID 56940
1,3-Dioxolane, 2-methyl-2-(1-methyl-2-(propylthio)ethyl)-
CID 56941
1,3-Dioxolane, 2-(2-(butylthio)-1-methylethyl)-2-methyl-
CID 59228
1,3-Dioxolane, 2-methyl-2-(1-methyl-2-((3-methylbutyl)thio)ethyl)-
CID 59229
1,3-Dioxolane, 2-methyl-2-(1-methyl-2-(pentylthio)ethyl)-
CID 59230
(4R)-2,2-dimethyl-4-[(2S)-1-methylsulfanylpropan-2-yl]-1,3-dioxolane
CID 14347862
2,2-Diethoxythiolane
CID 21161897
(4S)-2,2-dimethyl-4-[(2R)-1-methylsulfanylpropan-2-yl]-1,3-dioxolane
CID 22841178
4,4,5,5-Tetramethyl-2-(1-methylsulfanylethyl)-1,3-dioxolane
CID 23340024
4,4,5,5-Tetramethyl-2-(2-methylsulfanylethyl)-1,3-dioxolane
CID 53817047
5-Methylthio-2-pentanone ethylene ketal
CID 57117933
3,3-Diethyl-1,4-dioxa-8-thiaspiro[4.5]decane
CID 57969494

Frequently Asked Questions

What is the IUPAC name of (4S)-2,2,4-trimethyl-4-(2-propan-2-ylsulfanylethyl)-1,3-dioxolane?
The IUPAC name of (4S)-2,2,4-trimethyl-4-(2-propan-2-ylsulfanylethyl)-1,3-dioxolane (CID 14849539) is (4S)-2,2,4-trimethyl-4-(2-propan-2-ylsulfanylethyl)-1,3-dioxolane.
What is the SMILES notation for (4S)-2,2,4-trimethyl-4-(2-propan-2-ylsulfanylethyl)-1,3-dioxolane?
The canonical SMILES for (4S)-2,2,4-trimethyl-4-(2-propan-2-ylsulfanylethyl)-1,3-dioxolane is CC(C)SCC[C@@]1(C)COC(C)(C)O1.
What is the InChIKey of (4S)-2,2,4-trimethyl-4-(2-propan-2-ylsulfanylethyl)-1,3-dioxolane?
The InChIKey is XXVXZYAKSRSASB-NSHDSACASA-N. The full InChI is InChI=1S/C11H22O2S/c1-9(2)14-7-6-11(5)8-12-10(3,4)13-11/h9H,6-8H2,1-5H3/t11-/m0/s1.
What are the key properties of (4S)-2,2,4-trimethyl-4-(2-propan-2-ylsulfanylethyl)-1,3-dioxolane?
(4S)-2,2,4-trimethyl-4-(2-propan-2-ylsulfanylethyl)-1,3-dioxolane has a molecular weight of 218.36 g/mol, XLogP of 3.06, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2,2,4-trimethyl-4-(2-propan-2-ylsulfanylethyl)-1,3-dioxolane is sourced from PubChem (CID 14849539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).