Cas no 61559-29-3 (4-Octanol, (R)-)
4-Octanol, (R)- structure
Product Name:4-Octanol, (R)-
CAS No:61559-29-3
MF:C8H18O
MW:130.227922916412
CID:474838
PubChem ID:12346037
Update Time:2025-04-19
4-Octanol, (R)- Chemical and Physical Properties
Names and Identifiers
-
- 4-Octanol, (R)-
- 41FAM6MM60
- 4-Octanol, (4R)-
- UNII-41FAM6MM60
- 4-Octanol, (-)-
- (R)-4-Octanol
- 61559-29-3
-
- Inchi： 1S/C8H18O/c1-3-5-7-8(9)6-4-2/h8-9H,3-7H2,1-2H3/t8-/m1/s1
- InChI Key： WOFPPJOZXUTRAU-MRVPVSSYSA-N
- SMILES： O[C@H](CCC)CCCC
Computed Properties
- Exact Mass: 130.13584
- Monoisotopic Mass: 130.135765193g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 9
- Rotatable Bond Count: 5
- Complexity: 52.5
- 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: 2.7
- Topological Polar Surface Area: 20.2?2
Experimental Properties
- PSA: 20.23
4-Octanol, (R)- Related Literature
-
M. Sheykhan,S. Khani,S. Shaabanzadeh,M. Joafshan Green Chem., 2017,19, 5940-5948
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Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
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Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
-
R. M. Pemberton,J. P. Hart,T. T. Mottram Analyst, 2001,126, 1866-1871
-
Cheng Fang,Jinjian Wu,Zahra Sobhani,Md. Al Amin,Youhong Tang Anal. Methods, 2019,11, 163-170
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