Basic information
- CAS
957-17-5- Standard SMILES
CCOC1(OCC)CCCCCCCCCCC1- InChIKey
XMQLLEROFXPBDO-UHFFFAOYSA-N- Molecular formula
- C16H32O2
- Average molar mass
- 256.42 g/mol
- Monoisotopic mass
- 256.24023026
Names & identifiers
- Preferred name
- 1,1-Diethoxycyclododecane
- IUPAC
- 1,1-diethoxycyclododecane
Names & synonyms
1,1-diethoxycyclododecaneDTXSID10423908957-17-5RefChem:213642DTXCID30374746Acetal of cyclododecanone and 2,2-dimethyl-1,3-propanediolSCHEMBL6165114
Database identifiers
- CAS
957-17-5- PubChem CID
- 6429266
- DTXSID
DTXSID10423908- Nikkaji
- J1.290.468A
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 172
Related reactions
2 records
Compound notes
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