Cas no 56106-38-8 (Benzene, 1,3-dibutoxy-)
Benzene, 1,3-dibutoxy- structure
Product Name:Benzene, 1,3-dibutoxy-
CAS No:56106-38-8
MF:C14H22O2
MW:222.323284626007
CID:349786
PubChem ID:11096190
Update Time:2025-04-19
Benzene, 1,3-dibutoxy- Chemical and Physical Properties
Names and Identifiers
-
- Benzene, 1,3-dibutoxy-
- 1,3-dibutoxybenzene
- 1,3-dibutoxy-benzene
- 1,3-Dibutoxy-benzol
- Benzene,1,3-dibutoxy
- n-butyl 3-n-butyloxyphenyl ether
- 1,3-di-n-butoxybenzene
- SCHEMBL4397448
- OIPUSGXLZPNABH-UHFFFAOYSA-N
- DTXSID20455078
- 56106-38-8
-
- Inchi： 1S/C14H22O2/c1-3-5-10-15-13-8-7-9-14(12-13)16-11-6-4-2/h7-9,12H,3-6,10-11H2,1-2H3
- InChI Key： OIPUSGXLZPNABH-UHFFFAOYSA-N
- SMILES： O(C1C=CC=C(C=1)OCCCC)CCCC
Computed Properties
- Exact Mass: 222.16200
- Monoisotopic Mass: 222.161979940g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 16
- Rotatable Bond Count: 8
- Complexity: 143
- 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: 4.6
- Topological Polar Surface Area: 18.5?2
Experimental Properties
- PSA: 18.46000
- LogP: 4.04440
Benzene, 1,3-dibutoxy- Related Literature
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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2. An integrated microfluidic 3D tumor system for parallel and high-throughput chemotherapy evaluation?Dan Liu,Rui Hu,Zhongchao Huang,Meilin Sun,Kai Han Analyst, 2020,145, 6447-6455
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Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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