1,3-Propanediol, 2-methyl-2-propyl-, carbamate, dimethylcarbamate
Basic information
- CAS
25642-78-8- Standard SMILES
CCCC(C)(COC(N)=O)COC(=O)N(C)C- InChIKey
BHAKPYFEBLDBCE-UHFFFAOYSA-N- Molecular formula
- C11H22N2O4
- Average molar mass
- 246.3 g/mol
- Monoisotopic mass
- 246.15795719
Names & identifiers
- Preferred name
- 1,3-Propanediol, 2-methyl-2-propyl-, carbamate, dimethylcarbamate
- IUPAC
- [2-(carbamoyloxymethyl)-2-methylpentyl] N,N-dimethylcarbamate
Names & synonyms
BRN 187593925642-78-82-Methyl-2-propyl-1,3-propanediol carbamate dimethylcarbamate1,3-Propanediol, 2-methyl-2-propyl-, carbamate, dimethylcarbamateRefChem:219701DTXSID609485102-{[(Dimethylcarbamoyl)oxy]methyl}-2-methylpentyl hydrogen carbonimidate
Database identifiers
- CAS
25642-78-8- PubChem CID
- 117262
- DTXSID
DTXSID60948510- Nikkaji
- J50.881K
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 81.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 268
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Compound notes
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