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2-Methyl-6-prop-2-enoxyheptane (HCID 59348347)|Huagongshe
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Compound
2-Methyl-6-prop-2-enoxyheptane
HCID
59348347
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Properties
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Compound notes
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Basic information
Standard SMILES
C=CCOC(C)CCCC(C)C
InChIKey
YQIQKSZKPAOVGG-UHFFFAOYSA-N
Molecular formula
C11H22O
Average molar mass
170.29 g/mol
Names & identifiers
Preferred name
2-Methyl-6-prop-2-enoxyheptane
IUPAC
2-methyl-6-prop-2-enoxyheptane
Names & synonyms
SCHEMBL2737167
Database identifiers
PubChem CID
59348347
Nikkaji
J3.373.879J
Properties
Computed structural properties
XLogP
3.7
Topological polar surface area
9.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
7
Heavy atoms
12
Formal charge
0
Complexity
108
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Related reactions
1 records
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As reactant
As product
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As solvent
HRID
121696
As product
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Compound notes
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