(6-Methoxy-6-pentyl-1,2-dioxan-3-YL)acetic acid
Basic information
- CAS
644989-65-1- Standard SMILES
CCCCCC1(OC)CCC(CC(=O)O)OO1- InChIKey
FMBJHARNHJNVLJ-UHFFFAOYSA-N- Molecular formula
- C12H22O5
- Average molar mass
- 246.3 g/mol
- Monoisotopic mass
- 246.1467238
Names & identifiers
- Preferred name
- (6-Methoxy-6-pentyl-1,2-dioxan-3-YL)acetic acid
- IUPAC
- 2-(6-methoxy-6-pentyldioxan-3-yl)acetic acid
Names & synonyms
644989-65-1(6-METHOXY-6-PENTYL-1,2-DIOXAN-3-YL)ACETIC ACIDCHEMBL133228DTXSID90658392
Database identifiers
- CAS
644989-65-1- PubChem CID
- 44353333
- DTXSID
DTXSID90658392- ChEMBL
CHEMBL133228- Nikkaji
- J2.036.735K
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 65 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 243
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Compound notes
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