Cas no 156324-80-0 (Carbonic acid, 3-hydroxypropyl(1R,2S,5R)-5-methyl-2-(1-methylethyl)cyclohexyl ester)
156324-80-0 structure
Product Name:Carbonic acid, 3-hydroxypropyl(1R,2S,5R)-5-methyl-2-(1-methylethyl)cyclohexyl ester
CAS No:156324-80-0
MF:C14H26O4
MW:258.353845119476
CID:1331735
PubChem ID:165343813
Update Time:2025-04-20
Carbonic acid, 3-hydroxypropyl(1R,2S,5R)-5-methyl-2-(1-methylethyl)cyclohexyl ester Chemical and Physical Properties
Names and Identifiers
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- Carbonic acid, 3-hydroxypropyl(1R,2S,5R)-5-methyl-2-(1-methylethyl)cyclohexyl ester
- 156324-80-0
- 3-Hydroxypropyl (1R,2S,5R)-5-methyl-2-(1-methylethyl)cyclohexyl carbonate
- DTXSID201147164
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- Inchi： 1S/C14H26O4/c1-10(2)12-6-5-11(3)9-13(12)18-14(16)17-8-4-7-15/h10-13,15H,4-9H2,1-3H3/t11-,12+,13-/m1/s1
- InChI Key： YMEXMCUEKINXCE-FRRDWIJNSA-N
- SMILES： O(C(=O)OCCCO)[C@@H]1C[C@H](C)CC[C@H]1C(C)C
Computed Properties
- Exact Mass: 257.17535
- Monoisotopic Mass: 258.18310931g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 18
- Rotatable Bond Count: 7
- Complexity: 252
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 3
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.7
- Topological Polar Surface Area: 55.8?2
Experimental Properties
- PSA: 69.59
Carbonic acid, 3-hydroxypropyl(1R,2S,5R)-5-methyl-2-(1-methylethyl)cyclohexyl ester Related Literature
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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2. 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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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Eunkyung Choi,Minjoo Ryu,Haeri Lee,Ok-Sang Jung Dalton Trans., 2017,46, 4595-4601
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