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

C9H18O2S — CID 14347862

IUPAC(4R)-2,2-dimethyl-4-[(2S)-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+/m1/s1
InChIKeyBRIUFZXQGNGFCY-SFYZADRCSA-N
MW190.31 g/mol
LogP2.14
Rot. Bonds3

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

(4R)-2,2-dimethyl-4-[(2S)-1-methylsulfanylpropan-2-yl]-1,3-dioxolane (PubChem CID 14347862) has the molecular formula C9H18O2S and a molecular weight of 190.31 g/mol. Its IUPAC name is (4R)-2,2-dimethyl-4-[(2S)-1-methylsulfanylpropan-2-yl]-1,3-dioxolane.

Molecular Properties

Compound Name(4R)-2,2-dimethyl-4-[(2S)-1-methylsulfanylpropan-2-yl]-1,3-dioxolane
PubChem CID14347862
Molecular FormulaC9H18O2S
Molecular Weight190.31 g/mol
Exact Mass190.10
IUPAC Name(4R)-2,2-dimethyl-4-[(2S)-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+/m1/s1
InChIKeyBRIUFZXQGNGFCY-SFYZADRCSA-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 (4R)-2,2-dimethyl-4-[(2S)-1-methylsulfanylpropan-2-yl]-1,3-dioxolane?
The IUPAC name of (4R)-2,2-dimethyl-4-[(2S)-1-methylsulfanylpropan-2-yl]-1,3-dioxolane (CID 14347862) is (4R)-2,2-dimethyl-4-[(2S)-1-methylsulfanylpropan-2-yl]-1,3-dioxolane.
What is the SMILES notation for (4R)-2,2-dimethyl-4-[(2S)-1-methylsulfanylpropan-2-yl]-1,3-dioxolane?
The canonical SMILES for (4R)-2,2-dimethyl-4-[(2S)-1-methylsulfanylpropan-2-yl]-1,3-dioxolane is CSC[C@@H](C)[C@@H]1COC(C)(C)O1.
What is the InChIKey of (4R)-2,2-dimethyl-4-[(2S)-1-methylsulfanylpropan-2-yl]-1,3-dioxolane?
The InChIKey is BRIUFZXQGNGFCY-SFYZADRCSA-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+/m1/s1.
What are the key properties of (4R)-2,2-dimethyl-4-[(2S)-1-methylsulfanylpropan-2-yl]-1,3-dioxolane?
(4R)-2,2-dimethyl-4-[(2S)-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 (4R)-2,2-dimethyl-4-[(2S)-1-methylsulfanylpropan-2-yl]-1,3-dioxolane is sourced from PubChem (CID 14347862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).