Basic information
- CAS
21133-82-4- Standard SMILES
CCC(O)(CC)CC(O)(CC)c1ccccc1- InChIKey
HWNJIRZYSSVPAP-UHFFFAOYSA-N- Molecular formula
- C15H24O2
- Average molar mass
- 236.35 g/mol
- Monoisotopic mass
- 236.17763
Names & identifiers
- Preferred name
- 3,5-Heptanediol, 3-ethyl-5-phenyl-
- IUPAC
- 3-ethyl-5-phenylheptane-3,5-diol
- English name
- 3-Ethyl-5-phenyl-3,5-heptanediol
- Molecular formula
- C15H24O2
- Molecular weight
- 236.35
Names & synonyms
21133-82-43,5-HEPTANEDIOL, 3-ETHYL-5-PHENYL-RefChem:10659543-Ethyl-5-phenyl-3,5-heptanediol3-ethyl-5-phenylheptane-3,5-diolRD 6030BRN 2372759DTXSID90943457
Database identifiers
- CAS
21133-82-4- PubChem CID
- 30494
- DTXSID
DTXSID90943457- Nikkaji
- J49.284A
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 217
Chemistry & industry
Suppliers1 total
Achemica[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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