Basic information
- CAS
7461-07-6- Standard SMILES
CC(C)(C)C(=O)OCC1CCCO1- InChIKey
KCJKXFCWFACLFX-UHFFFAOYSA-N- Molecular formula
- C10H18O3
- Average molar mass
- 186.25 g/mol
- Monoisotopic mass
- 186.12559443
Names & identifiers
- Preferred name
- AG-G-96759
- IUPAC
- oxolan-2-ylmethyl 2,2-dimethylpropanoate
Names & synonyms
DTXSID50323655AG-G-967597461-07-6RefChem:317449DTXCID30274772NSC404596Pivalic acid, 2-tetrahydrofurylmethyl esterSCHEMBL24775803KCJKXFCWFACLFX-UHFFFAOYSA-NTetrahydro-2-furanylmethyl pivalate #NSC-404596(Oxolan-2-yl)methyl 2,2-dimethylpropanoate
Database identifiers
- CAS
7461-07-6- PubChem CID
- 346367
- DTXSID
DTXSID50323655
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 181
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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