Cas no 18456-81-0 (1,3-Cyclohexanedione, 4-propyl-)
18456-81-0 structure
Product Name:1,3-Cyclohexanedione, 4-propyl-
CAS No:18456-81-0
MF:C9H14O2
MW:154.206263065338
CID:1378983
PubChem ID:519567
Update Time:2025-04-20
1,3-Cyclohexanedione, 4-propyl- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Cyclohexanedione, 4-propyl-
- 4-Propyl-1,3-cyclohexanedione
- 4-propylcyclohexane-1,3-dione
- 18456-81-0
- DTXSID00334074
- SCHEMBL4333398
- 4-Propyl-1,3-cyclohexanedione #
-
- Inchi： 1S/C9H14O2/c1-2-3-7-4-5-8(10)6-9(7)11/h7H,2-6H2,1H3
- InChI Key： WWLVJBISOZBFCG-UHFFFAOYSA-N
- SMILES： O=C1CC(CCC1CCC)=O
Computed Properties
- Exact Mass: 154.09942
- Monoisotopic Mass: 154.099379685g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 2
- Complexity: 172
- 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: 1.5
- Topological Polar Surface Area: 34.1?2
Experimental Properties
- PSA: 34.14
1,3-Cyclohexanedione, 4-propyl- Related Literature
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Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
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Jing Chen,Yu Shao,Danzhen Li J. Mater. Chem. A, 2017,5, 937-941
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David B. Cordes,Alexandra M. Z. Slawin,Stefania Righetto,Denis Jacquemin,Eli Zysman-Colman,Véronique Guerchais Dalton Trans., 2018,47, 8292-8300
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
18456-81-0 (1,3-Cyclohexanedione, 4-propyl-) Related Products
- 823-76-7(1-cyclohexylethan-1-one)
- 96184-81-5(4-Oxocyclohexanecarbaldehyde)
- 10458-14-7(Menthone)
- 18362-64-6(2,6-Dimethyl-3,5-heptanedione)
- 4341-24-6(5-Methylcyclohexane-1,3-dione)
- 700-58-3(Adamantanone)
- 14765-30-1(2-Sec-Butylcyclohexanone)
- 1193-55-1(2-Methylcyclohexane-1,3-dione)
- 874-23-7(2-acetylcyclohexan-1-one)
- 583-60-8(2-Methylcyclohexanone)
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