Cas no 188011-20-3 (Benzenemethanol, 3,5-bis(octyloxy)-)
188011-20-3 structure
Product Name:Benzenemethanol, 3,5-bis(octyloxy)-
CAS No:188011-20-3
MF:C23H40O3
MW:364.56190776825
CID:1380372
PubChem ID:85718588
Update Time:2025-04-20
Benzenemethanol, 3,5-bis(octyloxy)- Chemical and Physical Properties
Names and Identifiers
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- Benzenemethanol, 3,5-bis(octyloxy)-
- 188011-20-3
- 1-(hydroxymethyl)-3,5-bis(octyloxy)benzene
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- Inchi： 1S/C23H40O3/c1-3-5-7-9-11-13-15-25-22-17-21(20-24)18-23(19-22)26-16-14-12-10-8-6-4-2/h17-19,24H,3-16,20H2,1-2H3
- InChI Key： SEORNGKYYBIYET-UHFFFAOYSA-N
- SMILES： O(C1C=C(CO)C=C(C=1)OCCCCCCCC)CCCCCCCC
Computed Properties
- Exact Mass: 364.2979
- Monoisotopic Mass: 364.29774513g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 26
- Rotatable Bond Count: 17
- Complexity: 269
- 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: 7.8
- Topological Polar Surface Area: 38.7?2
Experimental Properties
- PSA: 38.69
Benzenemethanol, 3,5-bis(octyloxy)- Related Literature
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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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3. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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