2-Propanol, 1-tert-butoxy-3-(2-propynyloxy)-, carbamate
Basic information
- CAS
16221-56-0- Standard SMILES
C#CCOCC(COC(C)(C)C)OC(N)=O- InChIKey
HKDWHYOQJVZUAB-UHFFFAOYSA-N- Molecular formula
- C11H19NO4
- Average molar mass
- 229.27 g/mol
- Monoisotopic mass
- 229.13140809
Names & identifiers
- Preferred name
- 2-Propanol, 1-tert-butoxy-3-(2-propynyloxy)-, carbamate
- IUPAC
- [1-[(2-methylpropan-2-yl)oxy]-3-prop-2-ynoxypropan-2-yl] carbamate
- English name
- 1-(1,1-Dimethylethoxy)-3-(2-propynyloxy)-2-propanol carbamate
- Molecular formula
- C11H19NO4
- Molecular weight
- 229.27
Names & synonyms
16221-56-0BRN 22108951-tert-Butoxy-3-(2-propynyloxy)-2-propanol carbamate1-Propargyl-2-carbamoyl glycerol 3-tert-butyl ether2-Propanol, 1-tert-butoxy-3-(2-propynyloxy)-, carbamateRefChem:265960[1-[(2-methylpropan-2-yl)oxy]-3-prop-2-ynoxypropan-2-yl] carbamate1-(1,1-Dimethylethoxy)-3-(2-propynyloxy)-2-propanol carbamateDTXSID309366611-tert-Butoxy-3-[(prop-2-yn-1-yl)oxy]propan-2-yl hydrogen carbonimidate2-Propanol, 1-(1,1-dimethylethoxy)-3-(2-propyn-1-yloxy)-, 2-carbamate
Database identifiers
- CAS
16221-56-0- PubChem CID
- 204375
- DTXSID
DTXSID30936661- Nikkaji
- J50.958B
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 70.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 261
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…