Basic information
- CAS
1489-92-5- Standard SMILES
OC12CCCCC13CCC1CCCCC1(O2)O3- InChIKey
UMKPCRWEPQJTQJ-UHFFFAOYSA-N- Molecular formula
- C14H22O3
- Average molar mass
- 238.32 g/mol
- Monoisotopic mass
- 238.15689456
Names & identifiers
- Preferred name
- Decahydro-2h,5ah-4a,9a-epoxydibenzo[b,f]oxepin-5a-ol
- IUPAC
- 10,16-dioxatetracyclo[7.6.1.01,11.04,9]hexadecan-11-ol
Names & synonyms
1489-92-5decahydro-2h,5ah-4a,9a-epoxydibenzo[b,f]oxepin-5a-olNSC155442DTXSID10302946NSC-155442
Database identifiers
- CAS
1489-92-5- PubChem CID
- 290959
- DTXSID
DTXSID10302946
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 38.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 344
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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