2-Heptyl-2-(oct-7-YN-1-YL)-1,3-dioxolane
Basic information
- CAS
744208-96-6- Standard SMILES
C#CCCCCCCC1(CCCCCCC)OCCO1- InChIKey
RGMVVXHSVDFSBR-UHFFFAOYSA-N- Molecular formula
- C18H32O2
- Average molar mass
- 280.4 g/mol
- Monoisotopic mass
- 280.24023026
Names & identifiers
- Preferred name
- 2-Heptyl-2-(oct-7-YN-1-YL)-1,3-dioxolane
- IUPAC
- 2-heptyl-2-oct-7-ynyl-1,3-dioxolane
Names & synonyms
744208-96-62-HEPTYL-2-(OCT-7-YN-1-YL)-1,3-DIOXOLANESCHEMBL13093689DTXSID30725436
Database identifiers
- CAS
744208-96-6- PubChem CID
- 57412166
- DTXSID
DTXSID30725436
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 12
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 270
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Related reactions
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Compound notes
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