1,3-Di(3-methylbutoxy)-2-propanol
Basic information
- CAS
626-78-8- Standard SMILES
CC(C)CCOCC(O)COCCC(C)C- InChIKey
ARRCKRNGGJHASO-UHFFFAOYSA-N- Molecular formula
- C13H28O3
- Average molar mass
- 232.36 g/mol
- Monoisotopic mass
- 232.20384475
Names & identifiers
- Preferred name
- 1,3-Di(3-methylbutoxy)-2-propanol
- IUPAC
- 1,3-bis(3-methylbutoxy)propan-2-ol
- English name
- 1,3-Bis(isoamyloxy)propan-2-ol
- Molecular formula
- C13H28O3
- Molecular weight
- 232.36
Names & synonyms
2-Propanol, 1,3-diisopentyloxy-626-78-82-Propanol, 1,3-bis(isopentyloxy)-2-Propanol, 1,3-bis(3-methylbutoxy)-8B3IJ2VL05NSC-266001,3-Di(3-methylbutoxy)-2-propanolDTXSID40211653RefChem:1052776DTXCID701341441,3-Diisoamyloxy-2-propanol1,3-Diisoamyl glycerol diether
Show more names
Glycerol α,γ-diisoamyl ether1,3-Bis(isoamyloxy)propan-2-ol1,3-Bis(isopentyloxy)-2-propanol
1,3-bis(3-methylbutoxy)propan-2-olNSC 266002-Propanol, 1,3-di(isopentyloxy)-BRN 1753036AI3-03555NSC26600UNII-8B3IJ2VL05SCHEMBL1836709
Database identifiers
- CAS
626-78-8- PubChem CID
- 69383
- DTXSID
DTXSID40211653- UNII
- 8B3IJ2VL05
- Nikkaji
- J87.456F
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 38.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 10
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 130
Physicochemical properties
- FDA UNII
- 8 B3IJ2VL05 · 8B3IJ2VL05
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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