Cas no 54665-47-3 (Pentane, 2,2,3-trimethyl-, (3R)-)
54665-47-3 structure
Product Name:Pentane, 2,2,3-trimethyl-, (3R)-
CAS No:54665-47-3
MF:C8H18
MW:114.228522777557
CID:1590330
PubChem ID:57480759
Update Time:2025-04-21
Pentane, 2,2,3-trimethyl-, (3R)- Chemical and Physical Properties
Names and Identifiers
-
- Pentane, 2,2,3-trimethyl-, (3R)-
- 2,2,3-Trimethylpentane, (R)-
- XTDQDBVBDLYELW-SSDOTTSWSA-N
- UNII-AKF4GAE23M
- (+)-2,2,3-Trimethylpentane
- 54665-47-3
- (R)-2,2,3-Trimethylpentane
- (R)-(+)-2,2,3-Trimethylpentane
- AKF4GAE23M
- r-2,2,3-trimethyl pentane
- Pentane, 2,2,3-trimethyl-, (R)-
- Q27273971
-
- Inchi: 1S/C8H18/c1-6-7(2)8(3,4)5/h7H,6H2,1-5H3/t7-/m1/s1
- InChI Key: XTDQDBVBDLYELW-SSDOTTSWSA-N
- SMILES: C(C)(C)(C)[C@H](C)CC
Computed Properties
- Exact Mass: 114.14094
- Monoisotopic Mass: 114.140850574g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 8
- Rotatable Bond Count: 2
- Complexity: 56.9
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.8
- Topological Polar Surface Area: 0?2
Experimental Properties
- PSA: 0
Pentane, 2,2,3-trimethyl-, (3R)- Related Literature
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Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
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Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
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Masrudin Md Yusoff,Muggundha Raoov,Noorfatimah Yahaya,Noorashikin Md Salleh RSC Adv., 2017,7, 35832-35844
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Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
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