Basic information
- CAS
1333-17-1- Standard SMILES
CC(C)C(C)C(C)C(O)C#CC(C)C(C)O- InChIKey
WWPTYZFXUOTSDY-UHFFFAOYSA-N- Molecular formula
- C14H26O2
- Average molar mass
- 226.35 g/mol
- Monoisotopic mass
- 226.19328007
Overview
See also: Decynediol, tetramethyl- (annotation moved to).
Names & identifiers
- Preferred name
- Tetramethyldecynediol
- IUPAC
- 3,7,8,9-tetramethyldec-4-yne-2,6-diol
Names & synonyms
Tetramethyldecynediol1333-17-13,7,8,9-tetramethyldec-4-yne-2,6-diolWWPTYZFXUOTSDY-UHFFFAOYSA-NEINECS 215-580-2NS00020470
Database identifiers
- CAS
1333-17-1- PubChem CID
- 14913
- EC Number
- 215-580-2
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 258
Experimental & physicochemical properties
Food Contact SubstancesFCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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