Basic information
- CAS
25450-95-7- Standard SMILES
CCC(CCC(C)C)(COC(N)=O)COC(N)=O- InChIKey
YCHIAOVOXHXZDO-UHFFFAOYSA-N- Molecular formula
- C12H24N2O4
- Average molar mass
- 260.33 g/mol
- Monoisotopic mass
- 260.17360725
Names & identifiers
- Preferred name
- 1,3-Propanediol, 2-ethyl-2-isopentyl-, dicarbamate
- IUPAC
- [2-(carbamoyloxymethyl)-2-ethyl-5-methylhexyl] carbamate
Names & synonyms
1,3-Propanediol, 2-ethyl-2-isopentyl-, dicarbamate25450-95-7RefChem:1053041BRN 29751572-Ethyl-2-isopentyl-1,3-propanediol dicarbamate
Database identifiers
- CAS
25450-95-7- PubChem CID
- 212992
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 10
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 261
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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