Cas no 97664-54-5 (Hexanal, 6-(4-phenylbutoxy)-)
Hexanal, 6-(4-phenylbutoxy)- structure
Product Name:Hexanal, 6-(4-phenylbutoxy)-
CAS No:97664-54-5
MF:C16H24O2
MW:248.360565185547
CID:1989100
PubChem ID:11368662
Update Time:2025-04-21
Hexanal, 6-(4-phenylbutoxy)- Chemical and Physical Properties
Names and Identifiers
-
- Hexanal, 6-(4-phenylbutoxy)-
- 6-(4-phenylbutoxy)Hexanal
- 97664-54-5
- SCHEMBL5383710
- DB-080471
- REAWJYMPCIAHCN-UHFFFAOYSA-N
-
- Inchi： 1S/C16H24O2/c17-13-7-1-2-8-14-18-15-9-6-12-16-10-4-3-5-11-16/h3-5,10-11,13H,1-2,6-9,12,14-15H2
- InChI Key： REAWJYMPCIAHCN-UHFFFAOYSA-N
- SMILES： O(CCCCCC=O)CCCCC1C=CC=CC=1
Computed Properties
- Exact Mass: 248.177630004Da
- Monoisotopic Mass: 248.177630004Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 18
- Rotatable Bond Count: 11
- Complexity: 186
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.3
- Topological Polar Surface Area: 26.3?2
Hexanal, 6-(4-phenylbutoxy)- Related Literature
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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4. Exclusive enantioselective recognition of glucopyranosides by inherently chiral hemicryptophanes?Olivier Perraud,Alexandre Martinez,Jean-Pierre Dutasta Chem. Commun., 2011,47, 5861-5863
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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