Cas no 76937-05-8 (1-Pentanol,2-[2-(2,2,3-trimethyl-3-cyclopenten-1-yl)ethylidene]-)
![1-Pentanol,2-[2-(2,2,3-trimethyl-3-cyclopenten-1-yl)ethylidene]- structure](https://ossimg.kuujia.com/scimg/77000/76937-05-8x500.png)
76937-05-8 structure
Product Name:1-Pentanol,2-[2-(2,2,3-trimethyl-3-cyclopenten-1-yl)ethylidene]-
CAS No:76937-05-8
MF:C15H26O
MW:222.366344928741
CID:568649
PubChem ID:6365762
Update Time:2025-04-19
1-Pentanol,2-[2-(2,2,3-trimethyl-3-cyclopenten-1-yl)ethylidene]- Chemical and Physical Properties
Names and Identifiers
-
- 1-Pentanol,2-[2-(2,2,3-trimethyl-3-cyclopenten-1-yl)ethylidene]-
- 2-[2-(2,2,3-trimethyl-3-cyclopenten-1-yl)ethylidene]pentan-1-ol
- (2Z)-2-[2-(2,2,3-trimethylcyclopent-3-en-1-yl)ethylidene]pentan-1-ol
- 2-(2-(2,2,3-Trimethyl-3-cyclopenten-1-yl)ethylidene)pentan-1-ol
- EINECS 278-579-6
- 76937-05-8
-
- Inchi： 1S/C15H26O/c1-5-6-13(11-16)8-10-14-9-7-12(2)15(14,3)4/h7-8,14,16H,5-6,9-11H2,1-4H3/b13-8+
- InChI Key： MDLCAUNJOHZXEZ-MDWZMJQESA-N
- SMILES： OC/C(/CCC)=C/CC1CC=C(C)C1(C)C
Computed Properties
- Exact Mass: 222.19848
- Monoisotopic Mass: 222.198365
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 16
- Rotatable Bond Count: 5
- Complexity: 284
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 20.2
- XLogP3: 4.1
Experimental Properties
- Density: 0.891
- Boiling Point: 304.7°C at 760 mmHg
- Flash Point: 107.6°C
- Refractive Index: 1.478
- PSA: 20.23
1-Pentanol,2-[2-(2,2,3-trimethyl-3-cyclopenten-1-yl)ethylidene]- Related Literature
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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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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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Zhizhen Lai,Mo Zhang,Jinyu Zhou,Tianjing Chen,Dan Li,Xuejing Shen,Jia Liu,Jiang Zhou,Zhili Li Analyst, 2021,146, 4261-4267
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