1,2-Cyclohexanediol diacetate, trans-
Basic information
- CAS
1759-71-3- Standard SMILES
CC(=O)OC1CCCCC1OC(C)=O- InChIKey
NSTPWRQTPXJRSP-UHFFFAOYSA-N- Molecular formula
- C10H16O4
- Average molar mass
- 200.23 g/mol
- Monoisotopic mass
- 200.10485899
Names & identifiers
- Preferred name
- 1,2-Cyclohexanediol diacetate, trans-
- IUPAC
- (2-acetyloxycyclohexyl) acetate
- English name
- cis-1,2-Cyclohexanediol diacetate
- Molecular formula
- C10H16O4
- Molecular weight
- 200.23
Names & synonyms
1,2-Cyclohexanediol diacetate, trans-(2-acetyloxycyclohexyl) acetate1,2-diacetoxycyclohexanecis-1,2-cyclohexanediol diacetateCyclohexane, 1,2-diacetoxy-, trans-2276-46-22396-76-11,2-Cyclohexanediol, diacetate, cis-1,2-Cyclohexanol diacetate, cis-NSC563Cyclohexane-cic-1,2-diol diacetate(1R,2R)-2-(acetyloxy)cyclohexyl acetate
Show more names
1,2-Cyclohexanediol diacetatetrans-1,2-Diacetoxycyclohexane(2-acetyloxycyclohexyl) ethanoateTRANS-1,2-CYCLOHEXANEDIOI DIACETATETRANS-1,2-CYCLOHEXANEDIOL DIACETATEtrans-Cyclohexane-1,2-diyl diacetate(1R,2R)-Cyclohexane-1,2-diyl diacetateacetic acid (2-acetoxycyclohexyl) ester
[(1R,2R)-2-acetyloxycyclohexyl] acetateSCHEMBL7920287Cyclohexane-1,2-diyl diacetateSCHEMBL10670131DTXSID40938717NSC-563NSTPWRQTPXJRSP-UHFFFAOYSA-N1,2-CYCLOHEXYLENE DIACETATE
Database identifiers
- CAS
1759-71-3、2276-46-2、2396-76-1- PubChem CID
- 137196
- DTXSID
DTXSID40938717- Nikkaji
- J46.474K
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 200
Physicochemical properties
- Boiling point
- 124 °C · 124 °C(Press: 18 Torr)
- Density
- 1.09 · 1.09±0.1 g/cm3(Predicted)
- NIST Chemistry Reference
- 1 · 1,2-Cyclohexanediol diacetate, trans-(1759-71-3)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…