Cas no 649561-40-0 (1-Tridecyn-3-ol, (3S)-)
1-Tridecyn-3-ol, (3S)- structure
Product Name:1-Tridecyn-3-ol, (3S)-
CAS No:649561-40-0
MF:C13H24O
MW:196.329064369202
CID:411135
PubChem ID:54103157
Update Time:2025-04-19
1-Tridecyn-3-ol, (3S)- Chemical and Physical Properties
Names and Identifiers
-
- 1-Tridecyn-3-ol, (3S)-
- 649561-40-0
- (3S)-TRIDEC-1-YN-3-OL
- SCHEMBL9793905
- DTXSID80709049
-
- Inchi： 1S/C13H24O/c1-3-5-6-7-8-9-10-11-12-13(14)4-2/h2,13-14H,3,5-12H2,1H3/t13-/m1/s1
- InChI Key： NBXOZWAKVAGNDB-CYBMUJFWSA-N
- SMILES： O[C@H](C#C)CCCCCCCCCC
Computed Properties
- Exact Mass: 196.18282
- Monoisotopic Mass: 196.182715385g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 14
- Rotatable Bond Count: 9
- Complexity: 154
- 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: 4.7
- Topological Polar Surface Area: 20.2?2
Experimental Properties
- PSA: 20.23
1-Tridecyn-3-ol, (3S)- Related Literature
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C. Achilli,G. F. Guidetti,A. Ciana,D. Capsoni,G. Minetti Biomater. Sci., 2016,4, 1417-1421
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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Goonay Yousefalizadeh,Shideh Ahmadi,Nicholas J. Mosey,Kevin G. Stamplecoskie Nanoscale, 2021,13, 242-252
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