(4S)-2,2-dimethyl-4-[(2R)-1-methylsulfanylpropan-2-yl]-1,3-dioxolane

C9H18O2S — CID 22841178

IUPAC(4S)-2,2-dimethyl-4-[(2R)-1-methylsulfanylpropan-2-yl]-1,3-dioxolane
SMILESCSC[C@H](C)[C@H]1COC(C)(C)O1
InChIInChI=1S/C9H18O2S/c1-7(6-12-4)8-5-10-9(2,3)11-8/h7-8H,5-6H2,1-4H3/t7-,8+/m0/s1
InChIKeyBRIUFZXQGNGFCY-JGVFFNPUSA-N
MW190.31 g/mol
LogP2.14
Rot. Bonds3

About (4S)-2,2-dimethyl-4-[(2R)-1-methylsulfanylpropan-2-yl]-1,3-dioxolane

(4S)-2,2-dimethyl-4-[(2R)-1-methylsulfanylpropan-2-yl]-1,3-dioxolane (PubChem CID 22841178) has the molecular formula C9H18O2S and a molecular weight of 190.31 g/mol. Its IUPAC name is (4S)-2,2-dimethyl-4-[(2R)-1-methylsulfanylpropan-2-yl]-1,3-dioxolane.

Molecular Properties

Compound Name(4S)-2,2-dimethyl-4-[(2R)-1-methylsulfanylpropan-2-yl]-1,3-dioxolane
PubChem CID22841178
Molecular FormulaC9H18O2S
Molecular Weight190.31 g/mol
Exact Mass190.10
IUPAC Name(4S)-2,2-dimethyl-4-[(2R)-1-methylsulfanylpropan-2-yl]-1,3-dioxolane
SMILESCSC[C@H](C)[C@H]1COC(C)(C)O1
InChIInChI=1S/C9H18O2S/c1-7(6-12-4)8-5-10-9(2,3)11-8/h7-8H,5-6H2,1-4H3/t7-,8+/m0/s1
InChIKeyBRIUFZXQGNGFCY-JGVFFNPUSA-N
XLogP2.14
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.31
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-2,2-dimethyl-4-[(2R)-1-methylsulfanylpropan-2-yl]-1,3-dioxolane?
The IUPAC name of (4S)-2,2-dimethyl-4-[(2R)-1-methylsulfanylpropan-2-yl]-1,3-dioxolane (CID 22841178) is (4S)-2,2-dimethyl-4-[(2R)-1-methylsulfanylpropan-2-yl]-1,3-dioxolane.
What is the SMILES notation for (4S)-2,2-dimethyl-4-[(2R)-1-methylsulfanylpropan-2-yl]-1,3-dioxolane?
The canonical SMILES for (4S)-2,2-dimethyl-4-[(2R)-1-methylsulfanylpropan-2-yl]-1,3-dioxolane is CSC[C@H](C)[C@H]1COC(C)(C)O1.
What is the InChIKey of (4S)-2,2-dimethyl-4-[(2R)-1-methylsulfanylpropan-2-yl]-1,3-dioxolane?
The InChIKey is BRIUFZXQGNGFCY-JGVFFNPUSA-N. The full InChI is InChI=1S/C9H18O2S/c1-7(6-12-4)8-5-10-9(2,3)11-8/h7-8H,5-6H2,1-4H3/t7-,8+/m0/s1.
What are the key properties of (4S)-2,2-dimethyl-4-[(2R)-1-methylsulfanylpropan-2-yl]-1,3-dioxolane?
(4S)-2,2-dimethyl-4-[(2R)-1-methylsulfanylpropan-2-yl]-1,3-dioxolane has a molecular weight of 190.31 g/mol, XLogP of 2.14, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2,2-dimethyl-4-[(2R)-1-methylsulfanylpropan-2-yl]-1,3-dioxolane is sourced from PubChem (CID 22841178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).