Basic information
- CAS
61940-59-8- Standard SMILES
C=CCOCC(O)COC(C)C- InChIKey
PLMMQIFFXIVYQI-UHFFFAOYSA-N- Molecular formula
- C9H18O3
- Average molar mass
- 174.24 g/mol
- Monoisotopic mass
- 174.12559443
Names & identifiers
- Preferred name
- 2-Propanol, 1-allyloxy-3-isopropoxy-
- IUPAC
- 1-propan-2-yloxy-3-prop-2-enoxypropan-2-ol
- English name
- 1-Isopropoxy-3-(allyloxy)-2-propanol
- Molecular formula
- C9H18O3
- Molecular weight
- 174.24
Names & synonyms
2-Propanol, 1-allyloxy-3-isopropoxy-BRN 35366351-Allyl-3-isopropyl glycerol diether61940-59-8RefChem:2659001-Isopropoxy-3-(allyloxy)-2-propanolSCHEMBL22717186DTXSID80977483DB-3122131-[(Propan-2-yl)oxy]-3-[(prop-2-en-1-yl)oxy]propan-2-ol1-(Allyloxy)-3-isopropoxy-2-propanol2-Propanol, 1-(1-methylethoxy)-3-(2-propen-1-yloxy)-
Database identifiers
- CAS
61940-59-8- PubChem CID
- 112464
- DTXSID
DTXSID80977483- Nikkaji
- J90.386H
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 38.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 112
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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