Carbamic acid, pentyl-, 2-(hydroxymethyl)-2-methylpentyl ester, carbamate (ester)
Basic information
- CAS
25384-87-6- Standard SMILES
CCCCCNC(=O)OCC(C)(CCC)COC(N)=O- InChIKey
ALKZEBDLPNIUHP-UHFFFAOYSA-N- Molecular formula
- C14H28N2O4
- Average molar mass
- 288.38 g/mol
- Monoisotopic mass
- 288.20490738
Names & identifiers
- Preferred name
- Carbamic acid, pentyl-, 2-(hydroxymethyl)-2-methylpentyl ester, carbamate (ester)
- IUPAC
- [2-(carbamoyloxymethyl)-2-methylpentyl] N-pentylcarbamate
Names & synonyms
Carbamic acid, pentyl-, 2-(hydroxymethyl)-2-methylpentyl ester, carbamate (ester)25384-87-6RefChem:1080972Pentylcarbamic acid 2-(hydroxymethyl)-2-methylpentyl ester carbamate (ester)
Database identifiers
- CAS
25384-87-6- PubChem CID
- 212916
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 90.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 12
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 297
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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