trans-(1R,2R)-4,4-bis(methoxymethyl)cyclopentane-1,2-diol
Basic information
- CAS
365997-06-4- Standard SMILES
COCC1(COC)C[C@@H](O)[C@H](O)C1- InChIKey
PPGCQPWOHIIHLP-HTQZYQBOSA-N- Molecular formula
- C9H18O4
- Average molar mass
- 190.24 g/mol
Names & identifiers
- Preferred name
- trans-(1R,2R)-4,4-bis(methoxymethyl)cyclopentane-1,2-diol
- IUPAC
- trans-(1R,2R)-4,4-bis(methoxymethyl)cyclopentane-1,2-diol
- English name
- 1,2-Cyclopentanediol,4,4-bis(methoxymethyl)-,(1R,2R)-rel-(9CI)
- Molecular formula
- C9H18O4
- Molecular weight
- 190.24
Names & synonyms
SCHEMBL18540091,2-Cyclopentanediol, 4,4-bis(methoxymethyl)-, (1R,2R)-rel-1,2-Cyclopentanediol,4,4-bis(methoxymethyl)-,(1R,2R)-rel-(9CI)
Database identifiers
- CAS
365997-06-4
Properties
Computed structural properties
- XLogP
- -0.7
- Topological polar surface area
- 58.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 142
Physicochemical properties
- Boiling point
- 255.3 · 255.3±20.0 °C(Predicted)
- Density
- 1.125 · 1.125±0.06 g/cm3(Predicted)
- pka
- 14.15 · 14.15±0.60(Predicted)
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Compound notes
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