Cas no 6624-81-3 (1-cyclohexyloxyhexatriacontan-11-one)
6624-81-3 structure
Product Name:1-cyclohexyloxyhexatriacontan-11-one
CAS No:6624-81-3
MF:C42H82O2
MW:619.099294185638
CID:1706543
PubChem ID:243703
Update Time:2025-04-21
1-cyclohexyloxyhexatriacontan-11-one Chemical and Physical Properties
Names and Identifiers
-
- 1-cyclohexyloxyhexatriacontan-11-one
- AR-1B2830
- 1-(cyclohexyloxy)hexatriacontan-11-one
- CTK5C3820
- AC1Q5HA5
- NSC53838
- KST-1B8284
- AC1L6C5D
- 1-cyclohexyloxy-hexatriacontan-11-one
- AR-1B2830; 1-(cyclohexyloxy)hexatriacontan-11-one; CTK5C3820; AC1Q5HA5; NSC53838; KST-1B8284; AC1L6C5D; 1-cyclohexyloxy-hexatriacontan-11-one;
- DTXSID90288017
- 6624-81-3
- NSC-53838
-
- Inchi： 1S/C42H82O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24-27-31-36-41(43)37-32-28-25-22-23-26-29-35-40-44-42-38-33-30-34-39-42/h42H,2-40H2,1H3
- InChI Key： FPJXTVDLDBEMMN-UHFFFAOYSA-N
- SMILES： O(CCCCCCCCCCC(CCCCCCCCCCCCCCCCCCCCCCCCC)=O)C1CCCCC1
Computed Properties
- Exact Mass: 618.63186
- Monoisotopic Mass: 618.63148185g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 44
- Rotatable Bond Count: 36
- Complexity: 552
- 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: 18.1
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- PSA: 26.3
- LogP: 14.79800
1-cyclohexyloxyhexatriacontan-11-one Related Literature
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Camelia Henríquez,Edwin Palacio,Víctor Cerdà Anal. Methods, 2014,6, 8494-8504
-
Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
-
Cheng Fang,Jinjian Wu,Zahra Sobhani,Md. Al Amin,Youhong Tang Anal. Methods, 2019,11, 163-170
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