Cas no 215179-76-3 (2-Propenoic acid, 2-methyl-, [1,1'-bicyclohexyl]yl ester)
![2-Propenoic acid, 2-methyl-, [1,1'-bicyclohexyl]yl ester structure](https://ossimg.kuujia.com/scimg/215500/215179-76-3x500.png)
215179-76-3 structure
Product Name:2-Propenoic acid, 2-methyl-, [1,1'-bicyclohexyl]yl ester
CAS No:215179-76-3
MF:C16H26O2
MW:250.376445293427
CID:1401926
PubChem ID:15509198
Update Time:2025-04-20
2-Propenoic acid, 2-methyl-, [1,1'-bicyclohexyl]yl ester Chemical and Physical Properties
Names and Identifiers
-
- 2-Propenoic acid, 2-methyl-, [1,1'-bicyclohexyl]yl ester
- (1-cyclohexylcyclohexyl) 2-methylprop-2-enoate
- 215179-76-3
- [1,1'-Bi(cyclohexane)]-1-yl 2-methylprop-2-enoate
- DTXSID40573485
- SCHEMBL10417245
-
- Inchi： 1S/C16H26O2/c1-13(2)15(17)18-16(11-7-4-8-12-16)14-9-5-3-6-10-14/h14H,1,3-12H2,2H3
- InChI Key： KRMWWIQCEHLYKO-UHFFFAOYSA-N
- SMILES： O(C(C(=C)C)=O)C1(CCCCC1)C1CCCCC1
Computed Properties
- Exact Mass: 250.19338
- Monoisotopic Mass: 250.193280068g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 18
- Rotatable Bond Count: 4
- Complexity: 307
- 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: 5.1
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- PSA: 26.3
2-Propenoic acid, 2-methyl-, [1,1'-bicyclohexyl]yl ester Related Literature
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1. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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