Cas no 50395-63-6 (1-Hexanone, 1-cyclopentyl-2-(phenylmethyl)-)
50395-63-6 structure
Product Name:1-Hexanone, 1-cyclopentyl-2-(phenylmethyl)-
CAS No:50395-63-6
MF:C18H26O
MW:258.398445606232
CID:364965
PubChem ID:71366600
Update Time:2025-04-19
1-Hexanone, 1-cyclopentyl-2-(phenylmethyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1-Hexanone, 1-cyclopentyl-2-(phenylmethyl)-
- 2-benzyl-1-cyclopentylhexan-1-one
- 50395-63-6
- DTXSID50789954
-
- Inchi： 1S/C18H26O/c1-2-3-11-17(14-15-9-5-4-6-10-15)18(19)16-12-7-8-13-16/h4-6,9-10,16-17H,2-3,7-8,11-14H2,1H3
- InChI Key： ZDRMTWOGTRVAEC-UHFFFAOYSA-N
- SMILES： O=C(C(CC1C=CC=CC=1)CCCC)C1CCCC1
Computed Properties
- Exact Mass: 258.19848
- Monoisotopic Mass: 258.198365449g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 19
- Rotatable Bond Count: 7
- Complexity: 259
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 5.4
- Topological Polar Surface Area: 17.1?2
Experimental Properties
- PSA: 17.07
1-Hexanone, 1-cyclopentyl-2-(phenylmethyl)- Related Literature
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
50395-63-6 (1-Hexanone, 1-cyclopentyl-2-(phenylmethyl)-) Related Products
- 5910-25-8(3-Phenyl-2,4-pentanedione)
- 946-33-8(2-Benzylcyclohexan-1-one)
- 3506-88-5(3-Benzyl-4-phenylbutan-2-one)
- 2550-27-8(3-Methyl-4-phenylbutan-2-one)
- 1134-87-8(3-Benzyl-2,4-pentanedione)
- 1198-34-1(2-phenylcyclopentan-1-one)
- 38861-78-8(4-Isobutylacetophenone)
- 40463-09-0(4-Methyl-1-phenylpentan-3-one)
- 14996-78-2(2-phenylcycloheptan-1-one)
- 2867-63-2(2-benzylcyclopentan-1-one)
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