Cas no 649561-34-2 (1-Tridecyn-3-ol)
1-Tridecyn-3-ol structure
Product Name:1-Tridecyn-3-ol
CAS No:649561-34-2
MF:C13H24O
MW:196.329064369202
CID:411141
PubChem ID:22150544
Update Time:2025-04-19
1-Tridecyn-3-ol Chemical and Physical Properties
Names and Identifiers
-
- 1-Tridecyn-3-ol
- tridec-1-yn-3-ol
- DTXSID30622976
- SCHEMBL9793919
- 649561-34-2
-
- Inchi： 1S/C13H24O/c1-3-5-6-7-8-9-10-11-12-13(14)4-2/h2,13-14H,3,5-12H2,1H3
- InChI Key： NBXOZWAKVAGNDB-UHFFFAOYSA-N
- SMILES： OC(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: 0
- Undefined Atom Stereocenter Count : 1
- 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 Related Literature
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Dongjia Han,Bing Xue,Juan Du,Tomohiro Miyatake,Hitoshi Tamiaki,Xin Xing,Wei Yuan,Yanyan Li Phys. Chem. Chem. Phys., 2016,18, 24252-24260
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Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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Eunju Nam,Jiyeon Han,Sunhee Choi,Mi Hee Lim Chem. Commun., 2021,57, 7637-7640
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