Cas no 74981-31-0 (3-Cyclopentene-1-butanal,2,2,3-trimethyl-a-propyl-)
74981-31-0 structure
Product Name:3-Cyclopentene-1-butanal,2,2,3-trimethyl-a-propyl-
CAS No:74981-31-0
MF:C15H26O
MW:222.366344928741
CID:580941
PubChem ID:44148877
Update Time:2025-04-19
3-Cyclopentene-1-butanal,2,2,3-trimethyl-a-propyl- Chemical and Physical Properties
Names and Identifiers
-
- 3-Cyclopentene-1-butanal,2,2,3-trimethyl-a-propyl-
- 2,2,3-trimethyl-alpha-propylcyclopent-3-enebutyraldehyde
- 2-[2-(2,2,3-trimethylcyclopent-3-en-1-yl)ethyl]pentanal
- 2-[2-(2,2,3-trimethyl-1-cyclopent-3-enyl)ethyl]pentanal
- EINECS 278-045-2
- DTXSID10996480
- 74981-31-0
- NS00058607
-
- Inchi： 1S/C15H26O/c1-5-6-13(11-16)8-10-14-9-7-12(2)15(14,3)4/h7,11,13-14H,5-6,8-10H2,1-4H3
- InChI Key： RYOMWOMFXGBTGU-UHFFFAOYSA-N
- SMILES： O=CC(CCC)CCC1CC=C(C)C1(C)C
Computed Properties
- Exact Mass: 222.198
- Monoisotopic Mass: 222.198
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 16
- Rotatable Bond Count: 6
- Complexity: 263
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 17.1A^2
- Surface Charge: 0
- Tautomer Count: 2
- XLogP3: 4.2
Experimental Properties
- Density: 0.867
- Boiling Point: 292.1°C at 760 mmHg
- Flash Point: 134.2°C
- Refractive Index: 1.453
3-Cyclopentene-1-butanal,2,2,3-trimethyl-a-propyl- Related Literature
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Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
-
Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
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José M. Rivera,Mariana Martín-Hidalgo,Jean C. Rivera-Ríos Org. Biomol. Chem., 2012,10, 7562-7565
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
74981-31-0 (3-Cyclopentene-1-butanal,2,2,3-trimethyl-a-propyl-) Related Products
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