Cas no 67672-74-6 (4-methyl-4-propylcyclohex-2-en-1-one)
67672-74-6 structure
Product Name:4-methyl-4-propylcyclohex-2-en-1-one
CAS No:67672-74-6
MF:C10H16O
MW:152.233443260193
CID:966617
PubChem ID:317676
Update Time:2025-04-19
4-methyl-4-propylcyclohex-2-en-1-one Chemical and Physical Properties
Names and Identifiers
-
- 4-methyl-4-propylcyclohex-2-en-1-one
- 4-METHYL-4-PROPYL-2-CYCLOHEXENONE
- 4-methyl-4-n-propylcyclohexenone
- 2-CYCLOHEXEN-1-ONE, 4-METHYL-4-PROPYL-
- SCHEMBL11950275
- 4-Methyl-4-propyl-2-cyclohexen-1-one
- 35161-15-0
- Y3RHN2PK8F
- 4-methyl-4-propylcyclohex-2-enone
- NSC-250974
- DTXSID30312163
- 67672-74-6
- DTXSID901290299
- 4-METHYL-4-PROPYL-2-CYCLOHEXEN-1-ONE, (+/-)
- NSC250974
- DS-005449
- 4-methyl-4-propyl-cyclohex-2-en-1-one
-
- Inchi： 1S/C10H16O/c1-3-6-10(2)7-4-9(11)5-8-10/h4,7H,3,5-6,8H2,1-2H3
- InChI Key： WZPGBIYWYMLIEU-UHFFFAOYSA-N
- SMILES： O=C1C=CC(C)(CCC)CC1
Computed Properties
- Exact Mass: 152.12018
- Monoisotopic Mass: 152.120115130g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 11
- Rotatable Bond Count: 2
- Complexity: 181
- 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: 2.9
- Topological Polar Surface Area: 17.1?2
Experimental Properties
- PSA: 17.07
4-methyl-4-propylcyclohex-2-en-1-one Related Literature
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Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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Felix Witte,Philipp Rietsch,Nithiya Nirmalananthan-Budau,Florian Weigert,Jan P. G?tze,Ute Resch-Genger,Siegfried Eigler,Beate Paulus Phys. Chem. Chem. Phys., 2021,23, 17521-17529
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L. Di Michele,D. Fiocco,F. Varrato,E. Eiser,G. Foffi Soft Matter, 2014,10, 3633-3648
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