(2,2-Diethoxycyclohexyl) 3,5-dinitrobenzoate
Basic information
- CAS
7469-78-5- Standard SMILES
CCOC1(OCC)CCCCC1OC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1- InChIKey
PTJQCXBTSJNLRN-UHFFFAOYSA-N- Molecular formula
- C17H22N2O8
- Average molar mass
- 382.4 g/mol
- Monoisotopic mass
- 382.13761566
Names & identifiers
- Preferred name
- (2,2-Diethoxycyclohexyl) 3,5-dinitrobenzoate
- IUPAC
- (2,2-diethoxycyclohexyl) 3,5-dinitrobenzoate
Names & synonyms
7469-78-5(2,2-diethoxycyclohexyl) 3,5-dinitrobenzoateNSC402214DTXSID00322875NSC-4022142,2-Diethoxycyclohexyl 3,5-dinitrobenzoate
Database identifiers
- CAS
7469-78-5- PubChem CID
- 345012
- DTXSID
DTXSID00322875
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 136 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 516
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Compound notes
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