(11E)-Tetradecen-1-yl-d5 Acetate
Basic information
- CAS
1209778-49-3- Standard SMILES
[2H]C([2H])([2H])C([2H])([2H])/C=C/CCCCCCCCCCOC(C)=O- InChIKey
YJINQJFQLQIYHX-SMJXTGSFSA-N- Molecular formula
- C16H30O2
- Average molar mass
- 259.44 g/mol
- Monoisotopic mass
- 259.25596393
Names & identifiers
- Preferred name
- (11E)-Tetradecen-1-yl-d5 Acetate
- IUPAC
- [(E)-13,13,14,14,14-pentadeuteriotetradec-11-enyl] acetate
- English name
- (11E)-Tetradecen-1-yl-d5 Acetate
- Molecular formula
- C16H25D5O2
- Molecular weight
- 259.44
Names & synonyms
1209778-49-3(11E)-Tetradecen-1-yl-d5 AcetateDTXSID90860256(11E)-Tetradecen-1-yl-d5Acetate(11E)-(13,13,14,14,14-D5)Tetradec-11-en-1-yl acetate[(E)-13,13,14,14,14-pentadeuteriotetradec-11-enyl] acetate(11E)-(13,13,14,14,14-~2~H_5_)Tetradec-11-en-1-yl acetate
Database identifiers
- CAS
1209778-49-3- PubChem CID
- 165367696
- DTXSID
DTXSID90860256
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 13
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 209
Physicochemical properties
- Boiling point
- 316.215 · 316.215±11.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 0.878 · 0.878±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
Chemistry & industry
Applications
Uses(11E)-Tetradecen-1-yl-d5 Acetate is an isotopic analog of (11E)-Tetradecen-1-yl Acetate (T291750) which is found in the sex pheromones of moths.
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Related reactions
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Compound notes
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