Basic information
- CAS
84682-28-0- Standard SMILES
CCC(CCO)(CCO)c1ccccc1- InChIKey
JDYDBAVDWRWTCJ-UHFFFAOYSA-N- Molecular formula
- C13H20O2
- Average molar mass
- 208.3 g/mol
- Monoisotopic mass
- 208.14632988
Names & identifiers
- Preferred name
- 3-Ethyl-3-phenyl-1,5-pentanediol
- IUPAC
- 3-ethyl-3-phenylpentane-1,5-diol
- English name
- 3-ethyl-3-phenylpentane-1,5-diol
- Molecular formula
- C13H20O2
- Molecular weight
- 208.2967
Names & synonyms
3-Ethyl-3-phenylpentane-1,5-diol84682-28-03-Ethyl-3-phenyl-1,5-pentanediolNSC-90454E72DE9JY37DTXSID00233674RefChem:1067773DTXCID30156165283-590-4NSC90454EINECS 283-590-4NCIOpen2_005629
Show more names
1,5-Pentanediol,3-ethyl-3-phenyl-
JDYDBAVDWRWTCJ-UHFFFAOYSA-NNSC 904541,5-Pentanediol, 3-ethyl-3-phenyl-NS00038608
Database identifiers
- CAS
84682-28-0- PubChem CID
- 96853
- DTXSID
DTXSID00233674- UNII
- E72DE9JY37
- EC Number
- 283-590-4
- Nikkaji
- J333.118K
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 156
Physicochemical properties
- LogP
- 1.601 · 1.601 (est)
Chemistry & industry
Suppliers2 total
湖北玖天生物医药科技有限公司027-88013699 17354350817 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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