3-[(5R)-5-hydroxyheptyl]-4-methyl-2H-furan-5-one
Basic information
- CAS
103963-35-5- Standard SMILES
CC[C@@H](O)CCCCC1=C(C)C(=O)OC1- InChIKey
RRJPBACYMZWMBB-LLVKDONJSA-N- Molecular formula
- C12H20O3
- Average molar mass
- 212.28 g/mol
- Monoisotopic mass
- 212.1412445
Names & identifiers
- Preferred name
- 3-[(5R)-5-hydroxyheptyl]-4-methyl-2H-furan-5-one
- IUPAC
- 3-[(5R)-5-hydroxyheptyl]-4-methyl-2H-furan-5-one
- English name
- 4-[(R)-5-Hydroxyheptyl]-3-methyl-2(5H)-furanone
- Molecular weight
- 0
Names & synonyms
103963-35-53-[(5R)-5-hydroxyheptyl]-4-methyl-2H-furan-5-oneIsoseiridin4-[(5r)-5-hydroxyheptyl]-3-methylfuran-2(5h)-one4-[(R)-5-Hydroxyheptyl]-3-methyl-2(5H)-furanoneDTXSID209086954-(5-Hydroxyheptyl)-3-methylfuran-2(5H)-one2(5H)-Furanone, 4-(5-hydroxyheptyl)-3-methyl-, (R)-
Database identifiers
- CAS
103963-35-5- PubChem CID
- 190635
- DTXSID
DTXSID20908695- Nikkaji
- J152.387B
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 256
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…