Basic information
- CAS
40373-44-2- Standard SMILES
CCCCC(=O)N(C)C(=O)Oc1cccc2c1OC(C)(C)O2- InChIKey
XBLQSZWOGKGTMT-UHFFFAOYSA-N- Molecular formula
- C16H21NO5
- Average molar mass
- 307.34 g/mol
- Monoisotopic mass
- 307.14197277
Names & identifiers
- Preferred name
- Carbamic acid, methyl(1-oxopentyl)-, 2,2-dimethyl-1,3-benzodioxol-4-yl ester
- IUPAC
- (2,2-dimethyl-1,3-benzodioxol-4-yl) N-methyl-N-pentanoylcarbamate
Names & synonyms
CARBAMIC ACID, METHYL(1-OXOPENTYL)-, 2,2-DIMETHYL-1,3-BENZODIOXOL-4-YL ESTERMethyl(1-oxopentyl)carbamic acid 2,2-dimethyl-1,3-benzodioxol-4-yl ester40373-44-22,2-Dimethyl-1,3-benzodioxol-4-yl N-pentanoyl-N-methylcarbamateDTXSID40193364RefChem:332511DTXCID501158552,2-Dimethyl-2H-1,3-benzodioxol-4-yl methyl(pentanoyl)carbamate
Database identifiers
- CAS
40373-44-2- PubChem CID
- 38451
- DTXSID
DTXSID40193364
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 65.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 423
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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