Cas no 129561-04-2 (1-Naphthalenol, 5-(octyloxy)-)
1-Naphthalenol, 5-(octyloxy)- structure
Product Name:1-Naphthalenol, 5-(octyloxy)-
CAS No:129561-04-2
MF:C18H24O2
MW:272.381965637207
CID:1224767
PubChem ID:19913453
Update Time:2025-04-20
1-Naphthalenol, 5-(octyloxy)- Chemical and Physical Properties
Names and Identifiers
-
- 1-Naphthalenol, 5-(octyloxy)-
- 5-octoxynaphthalen-1-ol
- 129561-04-2
- DTXSID10601264
- SCHEMBL9578532
- 5-(OCTYLOXY)NAPHTHALEN-1-OL
-
- Inchi： 1S/C18H24O2/c1-2-3-4-5-6-7-14-20-18-13-9-10-15-16(18)11-8-12-17(15)19/h8-13,19H,2-7,14H2,1H3
- InChI Key： LOKVZASTFDERON-UHFFFAOYSA-N
- SMILES： O(C1C=CC=C2C(=CC=CC=12)O)CCCCCCCC
Computed Properties
- Exact Mass: 647.27461
- Monoisotopic Mass: 272.177630004g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 20
- Rotatable Bond Count: 8
- Complexity: 254
- 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: 6.2
- Topological Polar Surface Area: 29.5?2
Experimental Properties
- PSA: 152.16
1-Naphthalenol, 5-(octyloxy)- Related Literature
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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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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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
-
Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
129561-04-2 (1-Naphthalenol, 5-(octyloxy)-) Related Products
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