2-Ethyl-2-((2-(hydroxymethyl)-2-(methoxymethyl)butoxy)methyl)propane-1,3-diol
Basic information
- CAS
93983-20-1- Standard SMILES
CCC(CO)(CO)COCC(CC)(CO)COC- InChIKey
QEQRZPQWKNGRII-UHFFFAOYSA-N- Molecular formula
- C13H28O5
- Average molar mass
- 264.36 g/mol
- Monoisotopic mass
- 264.19367399
Names & identifiers
- Preferred name
- 2-Ethyl-2-((2-(hydroxymethyl)-2-(methoxymethyl)butoxy)methyl)propane-1,3-diol
- IUPAC
- 2-ethyl-2-[[2-(hydroxymethyl)-2-(methoxymethyl)butoxy]methyl]propane-1,3-diol
- English name
- 2-ethyl-2-[[2-(hydroxymethyl)-2-(methoxymethyl)butoxy]methyl]propane-1,3-diol
- Molecular formula
- C13H28O5
- Molecular weight
- 264.35842
Names & synonyms
EINECS 301-309-693983-20-12-Ethyl-2-((2-(hydroxymethyl)-2-(methoxymethyl)butoxy)methyl)propane-1,3-diol2-Ethyl-2-{[2-(hydroxymethyl)-2-(methoxymethyl)butoxy]methyl}propane-1,3-diolSCHEMBL14683257DTXSID90916727QEQRZPQWKNGRII-UHFFFAOYSA-NNS000625772-Ethyl-2-[[2-(hydroxymethyl)-2-(methoxymethyl)butoxy]methyl]-1,3-propanediol2-ethyl-2-[[2-(hydroxymethyl)-2-(methoxymethyl)butoxy]methyl]propane-1,3-diol
Database identifiers
- CAS
93983-20-1- PubChem CID
- 3023232
- DTXSID
DTXSID90916727- EC Number
- 301-309-6
- Nikkaji
- J348.953A
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 79.2 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 11
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 206
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Compound notes
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