Basic information
- CAS
1322-12-9- Standard SMILES
CCCCCCC#COC(=O)OCC- InChIKey
PYEYQVUFMQXYGR-UHFFFAOYSA-N- Molecular formula
- C11H18O3
- Average molar mass
- 198.26 g/mol
- Monoisotopic mass
- 198.12559443
Names & identifiers
- Preferred name
- Carbonic acid, ethyl octynyl ester
- IUPAC
- ethyl oct-1-ynyl carbonate
- English name
- Ethyl 2-nonynoate, 98
- Molecular formula
- C11H20O3
- Molecular weight
- 200.2747
Names & synonyms
CARBONIC ACID, ETHYL OCTYNYL ESTER1322-12-9Ethyl octine carbonateDTXSID00157427RefChem:333401DTXCID6079918ethyl oct-1-ynyl carbonateSCHEMBL874065ETHYL OCT-1-YN-1-YL CARBONATEethyloctynecarbonateEthyl 2-nonynoate, 98ethyloctynecarboxylate
Show more names
Ethyl octyne carboxylatecarbonicacid,ethyloctynylestercarbonic acid ethyl oct-1-ynyl ester
Database identifiers
- CAS
1322-12-9- PubChem CID
- 14864
- DTXSID
DTXSID00157427
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 209
Chemistry & industry
Suppliers1 total
Service Chemical Inc.[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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