Cas no 586-88-9 (1-Cyclohexene-1-carboxylicacid, 4-(1-methylethyl)-)
586-88-9 structure
Product Name:1-Cyclohexene-1-carboxylicacid, 4-(1-methylethyl)-
CAS No:586-88-9
MF:C10H16O2
MW:168.232843399048
CID:378758
PubChem ID:12305141
Update Time:2025-04-19
1-Cyclohexene-1-carboxylicacid, 4-(1-methylethyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1-Cyclohexene-1-carboxylicacid, 4-(1-methylethyl)-
- 4-propan-2-ylcyclohexene-1-carboxylic acid
- p-Mentha-1-ene-7-oic acid
- 1-Cyclohexene-1-carboxylicacid, 4-isopropyl- (8CI)
- Phellandric acid (6CI)
- 4-(Propan-2-yl)cyclohex-1-ene-1-carboxylic acid
- UNII-1M1X0Z101M
- SCHEMBL10705510
- 4-(1-Methylethyl)-1-cyclohexene-1-carboxylic acid
- 1M1X0Z101M
- Phellandric acid , (+/-)
- 586-88-9
- DTXSID20486721
- 1-Cyclohexene-1-carboxylic acid, 4-(1-methylethyl)-
- Phellandric acid
- PHELLANDRIC ACID , (+/-)-
-
- Inchi： 1S/C10H16O2/c1-7(2)8-3-5-9(6-4-8)10(11)12/h5,7-8H,3-4,6H2,1-2H3,(H,11,12)
- InChI Key： RVWKOGKZZRIQEW-UHFFFAOYSA-N
- SMILES： OC(C1=CCC(CC1)C(C)C)=O
Computed Properties
- Exact Mass: 168.11508
- Monoisotopic Mass: 168.115029749g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 204
- 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: 2.8
- Topological Polar Surface Area: 37.3?2
Experimental Properties
- PSA: 37.3
1-Cyclohexene-1-carboxylicacid, 4-(1-methylethyl)- Related Literature
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
-
Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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