2,4,8,10-Tetramethyl-3,9-dioxapentacyclo[6.4.0.02,7.04,11.05,10]dodecane-6,12-diol
Basic information
- CAS
93571-08-5- Standard SMILES
CC12OC3(C)C4C(O)C1C1(C)OC4(C)C3C(O)C21- InChIKey
IUQNYMNRZBAPMT-UHFFFAOYSA-N- Molecular formula
- C14H20O4
- Average molar mass
- 252.31 g/mol
- Monoisotopic mass
- 252.13615911
Names & identifiers
- Preferred name
- 2,4,8,10-Tetramethyl-3,9-dioxapentacyclo[6.4.0.02,7.04,11.05,10]dodecane-6,12-diol
- IUPAC
- 2,4,8,10-tetramethyl-3,9-dioxapentacyclo[6.4.0.02,7.04,11.05,10]dodecane-6,12-diol
Names & synonyms
93571-08-52,4,8,10-tetramethyl-3,9-dioxapentacyclo[6.4.0.02,7.04,11.05,10]dodecane-6,12-diolNSC140369DTXSID00301009NSC-1403692,4,8,10-Tetramethyl-3,9-dioxapentacyclo[6.4.0.0~2,7~.0~4,11~.0~5,10~]dodecane-6,12-diol
Database identifiers
- CAS
93571-08-5- PubChem CID
- 284528
- DTXSID
DTXSID00301009
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 58.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 378
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Related reactions
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Compound notes
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