Cas no 111301-34-9 (13-Triacontyn-1-ol)
13-Triacontyn-1-ol structure
Product Name:13-Triacontyn-1-ol
CAS No:111301-34-9
MF:C30H58O
MW:434.780930042267
CID:1198026
PubChem ID:71335534
Update Time:2025-04-20
13-Triacontyn-1-ol Chemical and Physical Properties
Names and Identifiers
-
- 13-Triacontyn-1-ol
- triacont-13-yn-1-ol
- DTXSID00763481
- 111301-34-9
-
- Inchi: 1S/C30H58O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31/h31H,2-16,19-30H2,1H3
- InChI Key: GLVRUHZUBGAQSY-UHFFFAOYSA-N
- SMILES: OCCCCCCCCCCCCC#CCCCCCCCCCCCCCCCC
Computed Properties
- Exact Mass: 434.44904
- Monoisotopic Mass: 434.448766469g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 31
- Rotatable Bond Count: 25
- Complexity: 374
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 13.7
- Topological Polar Surface Area: 20.2?2
Experimental Properties
- PSA: 20.23
13-Triacontyn-1-ol Related Literature
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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