1,3-Propanediol, 2-ethyl-2-isobutyl-, dicarbamate
Basic information
- CAS
25450-91-3- Standard SMILES
CCC(COC(N)=O)(COC(N)=O)CC(C)C- InChIKey
OQOHSPIPPVKMOW-UHFFFAOYSA-N- Molecular formula
- C11H22N2O4
- Average molar mass
- 246.3 g/mol
- Monoisotopic mass
- 246.15795719
Names & identifiers
- Preferred name
- 1,3-Propanediol, 2-ethyl-2-isobutyl-, dicarbamate
- IUPAC
- [2-(carbamoyloxymethyl)-2-ethyl-4-methylpentyl] carbamate
Names & synonyms
1,3-Propanediol, 2-ethyl-2-isobutyl-, dicarbamate25450-91-3RefChem:1053040BRN 29715942-Ethyl-2-isobutyl-1,3-propanediol dicarbamate
Database identifiers
- CAS
25450-91-3- PubChem CID
- 117490
- Nikkaji
- J50.816K
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 248
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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