Cas no 90170-12-0 (Cyclohexanecarboxylic acid, 4-octyl-, 4-(hexyloxy)phenyl ester, trans-)
90170-12-0 structure
Product Name:Cyclohexanecarboxylic acid, 4-octyl-, 4-(hexyloxy)phenyl ester, trans-
CAS No:90170-12-0
MF:C27H44O3
MW:416.636468887329
CID:792618
PubChem ID:71429884
Update Time:2025-04-19
Cyclohexanecarboxylic acid, 4-octyl-, 4-(hexyloxy)phenyl ester, trans- Chemical and Physical Properties
Names and Identifiers
-
- Cyclohexanecarboxylic acid, 4-octyl-, 4-(hexyloxy)phenyl ester, trans-
- (4-hexoxyphenyl) 4-octylcyclohexane-1-carboxylate
- 4-(HEXYLOXY)PHENYL 4-OCTYLCYCLOHEXANE-1-CARBOXYLATE
- DTXSID40848544
- 90170-12-0
-
- Inchi： 1S/C27H44O3/c1-3-5-7-9-10-11-13-23-14-16-24(17-15-23)27(28)30-26-20-18-25(19-21-26)29-22-12-8-6-4-2/h18-21,23-24H,3-17,22H2,1-2H3
- InChI Key： BFAKFEHUWVKJFA-UHFFFAOYSA-N
- SMILES： O(C1C=CC(=CC=1)OCCCCCC)C(C1CCC(CCCCCCCC)CC1)=O
Computed Properties
- Exact Mass: 416.32904526g/mol
- Monoisotopic Mass: 416.32904526g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 30
- Rotatable Bond Count: 16
- Complexity: 420
- 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: 10.1
- Topological Polar Surface Area: 35.5?2
Cyclohexanecarboxylic acid, 4-octyl-, 4-(hexyloxy)phenyl ester, trans- Related Literature
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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