1,3-Dioxolane-4-methanol, 2-methyl-2-(1-methyl-2-(propylthio)ethyl)-
Basic information
- CAS
95541-94-9- Standard SMILES
CCCSCC(C)C1(C)OCC(CO)O1- InChIKey
XHBJTZPUCLKZJI-UHFFFAOYSA-N- Molecular formula
- C11H22O3S
- Average molar mass
- 234.36 g/mol
- Monoisotopic mass
- 234.12896573
Names & identifiers
- Preferred name
- 1,3-Dioxolane-4-methanol, 2-methyl-2-(1-methyl-2-(propylthio)ethyl)-
- IUPAC
- [2-methyl-2-(1-propylsulfanylpropan-2-yl)-1,3-dioxolan-4-yl]methanol
Names & synonyms
BRN 542448895541-94-92-Methyl-2-(1-methyl-2-(propylthio)ethyl)-1,3-dioxolane-4-methanol1,3-DIOXOLANE-4-METHANOL, 2-METHYL-2-(1-METHYL-2-(PROPYLTHIO)ETHYL)-RefChem:218997DTXSID80914939{2-METHYL-2-[1-(PROPYLSULFANYL)PROPAN-2-YL]-1,3-DIOXOLAN-4-YL}METHANOL
Database identifiers
- CAS
95541-94-9- PubChem CID
- 56943
- DTXSID
DTXSID80914939
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 64 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 189
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…