6,13-Dioxaheptacyclo[9.3.1.14,8.02,10.03,9.05,7.012,14]hexadecane
Basic information
- CAS
4683-70-9- Standard SMILES
C1C2C3OC3C1C1C2C2C3CC(C4OC34)C12- InChIKey
GRUYMPCCSKMLJH-UHFFFAOYSA-N- Molecular formula
- C14H16O2
- Average molar mass
- 216.27 g/mol
- Monoisotopic mass
- 216.11502975
Names & identifiers
- Preferred name
- 6,13-Dioxaheptacyclo[9.3.1.14,8.02,10.03,9.05,7.012,14]hexadecane
- IUPAC
- 6,13-dioxaheptacyclo[9.3.1.14,8.02,10.03,9.05,7.012,14]hexadecane
Names & synonyms
4683-70-9NSC167542DTXSID70963678NSC-1675426,13-Dioxaheptacyclo[9.3.1.1~4,8~.0~2,10~.0~3,9~.0~5,7~.0~12,14~]hexadecane5173-11-5
Database identifiers
- CAS
4683-70-9- PubChem CID
- 296965
- DTXSID
DTXSID70963678
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 25.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 358
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Related reactions
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Compound notes
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