Basic information
- CAS
3124-50-3- Standard SMILES
CCCCC(C)(COC(N)=O)COC(N)=O- InChIKey
PCLRAGNZCNZQCA-UHFFFAOYSA-N- Molecular formula
- C10H20N2O4
- Average molar mass
- 232.28 g/mol
- Monoisotopic mass
- 232.14230712
Names & identifiers
- Preferred name
- 1,3-Propanediol, 2-butyl-2-methyl-, dicarbamate
- IUPAC
- [2-(carbamoyloxymethyl)-2-methylhexyl] carbamate
- English name
- Dicarbamic acid 2-butyl-2-methyltrimethylene ester
- Molecular formula
- C10H20N2O4
- Molecular weight
- 232.28
Names & synonyms
1,3-Propanediol, 2-butyl-2-methyl-, dicarbamate3124-50-3RefChem:1053030BRN 19122112-Butyl-2-methyl-1,3-propanediol dicarbamateDTXSID601384807Dicarbamic acid 2-butyl-2-methyltrimethylene ester1,3-Propanediol, 2-butyl-2-methyl-, 1,3-dicarbamate
Database identifiers
- CAS
3124-50-3- PubChem CID
- 76577
- DTXSID
DTXSID601384807- Nikkaji
- J50.777F
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 225
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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