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2-[1-(2-Methylpropoxy)ethoxy]propan-1-ol (HCID 22731547)|Huagongshe
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Compound
2-[1-(2-Methylpropoxy)ethoxy]propan-1-ol
HCID
22731547
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Reactions
Basic information
Names & identifiers
Properties
Related reactions
Compound notes
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Basic information
Standard SMILES
CC(C)COC(C)OC(C)CO
InChIKey
TZCBTZXOUFWUHS-UHFFFAOYSA-N
Molecular formula
C9H20O3
Average molar mass
176.25 g/mol
Monoisotopic mass
176.1412445
Names & identifiers
Preferred name
2-[1-(2-Methylpropoxy)ethoxy]propan-1-ol
IUPAC
2-[1-(2-methylpropoxy)ethoxy]propan-1-ol
Names & synonyms
SCHEMBL6890058
Database identifiers
PubChem CID
22731547
Properties
Computed structural properties
XLogP
1.5
Topological polar surface area
38.7 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
6
Heavy atoms
12
Formal charge
0
Complexity
104
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Related reactions
4 records
New reaction record
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As reactant
As product
As reagent
As catalyst
As solvent
HRID
108210
As product
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID
680268
As product
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
HRID
686537
As product
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
HRID
834979
As product
Test data from https://doi.org/10.1039/C8SC04228D
Compound notes
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