Basic information
- CAS
118006-67-0- Standard SMILES
CCC#CCOC(=O)C(C)(C)C- InChIKey
HLGTWBLWEISASB-UHFFFAOYSA-N- Molecular formula
- C10H16O2
- Average molar mass
- 168.23 g/mol
- Monoisotopic mass
- 168.11502975
Names & identifiers
- Preferred name
- Propanoic acid, 2,2-dimethyl-, 2-pentynyl ester
- IUPAC
- pent-2-ynyl 2,2-dimethylpropanoate
Names & synonyms
Propanoic acid, 2,2-dimethyl-, 2-pentynyl ester118006-67-0DTXSID00337868RefChem:374611DTXCID302889552-Pentynyl pivalate #HLGTWBLWEISASB-UHFFFAOYSA-NPENT-2-YN-1-YL 2,2-DIMETHYLPROPANOATE
Database identifiers
- CAS
118006-67-0- PubChem CID
- 545191
- DTXSID
DTXSID00337868
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 209
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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