Basic information
- CAS
22131-27-7- Standard SMILES
CCC(CC)(COC(N)=O)COC(=O)NC(C)C- InChIKey
SIUIZWIFPPQMHB-UHFFFAOYSA-N- Molecular formula
- C12H24N2O4
- Average molar mass
- 260.33 g/mol
- Monoisotopic mass
- 260.17360725
Names & identifiers
- Preferred name
- 1,3-Propanediol, 2,2-diethyl-, carbamate isopropylcarbamate
- IUPAC
- [2-(carbamoyloxymethyl)-2-ethylbutyl] N-propan-2-ylcarbamate
- English name
- 2,2-Diethyl-1,3-propanediol 1-carbamate 3-isopropylcarbamate
- Molecular weight
- 0
Names & synonyms
22131-27-71,3-Propanediol, 2,2-diethyl-, carbamate isopropylcarbamateRefChem:1052997BRN 23708212,2-Diethyl-1,3-propanediol carbamate isopropylcarbamate[2-(carbamoyloxymethyl)-2-ethylbutyl] N-propan-2-ylcarbamate2,2-Diethyl-1,3-propanediol 1-carbamate 3-isopropylcarbamateDTXSID901384820
Database identifiers
- CAS
22131-27-7- PubChem CID
- 89606
- DTXSID
DTXSID901384820- Nikkaji
- J90.893B
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 90.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 275
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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