Cas no 28673-50-9 (1-Cyclohexene-1-aceticacid, 4-cyclohexyl-)
28673-50-9 structure
Product Name:1-Cyclohexene-1-aceticacid, 4-cyclohexyl-
CAS No:28673-50-9
MF:C14H22O2
MW:222.323284626007
CID:280503
PubChem ID:206756
Update Time:2025-04-19
1-Cyclohexene-1-aceticacid, 4-cyclohexyl- Chemical and Physical Properties
Names and Identifiers
-
- 1-Cyclohexene-1-aceticacid, 4-cyclohexyl-
- 2-(4-cyclohexylcyclohexen-1-yl)acetic acid
- DTXSID50951331
- [[[1,1'-Bi(cyclohexan)]-3-en]-4-yl]acetic acid
- Acide (cyclohexyl-4 cyclohexen-1 yl) acetique [French]
- Acide (cyclohexyl-4 cyclohexen-1 yl) acetique
- 4-Cyclohexyl-1-cyclohexene-1-acetic acid
- Acetic acid, (4-cyclohexyl-1-cyclohexen-1-yl)-
- 28673-50-9
- 1-Cyclohexene-1-acetic acid, 4-cyclohexyl-
-
- Inchi： 1S/C14H22O2/c15-14(16)10-11-6-8-13(9-7-11)12-4-2-1-3-5-12/h6,12-13H,1-5,7-10H2,(H,15,16)
- InChI Key： IOUHTAWCGAWYMR-UHFFFAOYSA-N
- SMILES： OC(CC1=CCC(CC1)C1CCCCC1)=O
Computed Properties
- Exact Mass: 222.16206
- Monoisotopic Mass: 222.162
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 16
- Rotatable Bond Count: 3
- Complexity: 275
- 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: 3.9
- Topological Polar Surface Area: 37.3?2
Experimental Properties
- Density: 1.058
- Boiling Point: 354.3°Cat760mmHg
- Flash Point: 251.3°C
- Refractive Index: 1.52
- PSA: 37.3
1-Cyclohexene-1-aceticacid, 4-cyclohexyl- Related Literature
-
Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
-
R. M. Pemberton,J. P. Hart,T. T. Mottram Analyst, 2001,126, 1866-1871
-
Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
-
Michael Kappl,Paul M. Young,Daniela Traini,Sanyog Jain RSC Adv., 2016,6, 25789-25798
-
Sandip Gangadhar Balwe,Yeon Tae Jeong Org. Biomol. Chem., 2018,16, 1287-1296
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