Cas no 84658-56-0 ( )
structure
Product Name:
CAS No:84658-56-0
MF:C12H18O
MW:178.270723819733
CID:989565
PubChem ID:142104
Update Time:2025-04-20
Chemical and Physical Properties
Names and Identifiers
-
- 3-methyl-2-phenylpentan-1-ol
- 1-Pentanol, 3-methyl-2-phenyl-,
- 1-Pentanol, 3-methyl-2-phenyl-
- 36748-84-2
- SCHEMBL13909501
- NSC-165632
- NSC165632
- DTXSID80957967
- AKOS009358342
- 84658-56-0
- BETA-(SEC-BUTYL)-PHENETHYL ALCOHOL
-
-
- Inchi: 1S/C12H18O/c1-3-10(2)12(9-13)11-7-5-4-6-8-11/h4-8,10,12-13H,3,9H2,1-2H3
- InChI Key: BPCBJIKKAINGQY-UHFFFAOYSA-N
- SMILES: OCC(C1C=CC=CC=1)C(C)CC
Computed Properties
- Exact Mass: 178.135765193g/mol
- Monoisotopic Mass: 178.135765193g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 13
- Rotatable Bond Count: 4
- Complexity: 127
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.2
- Topological Polar Surface Area: 20.2?2
Related Literature
-
Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
-
Chengbin Yang,Hing Lun Tsang,Pui Man Lau,Ken-Tye Yong,Ho Pui Ho,Siu Kai Kong Analyst, 2017,142, 3579-3587
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3. An integrated chip for immunofluorescence and its application to analyze lysosomal storage disordersJie Shen,Ying Zhou,Tu Lu,Junya Peng,Zhixiang Lin,Yuhong Pang,Li Yu Lab Chip, 2012,12, 317-324
-
Jing Chen,Yu Shao,Danzhen Li J. Mater. Chem. A, 2017,5, 937-941
-
Zhonghua Xiang,Chuanqi Fang,Sanhua Leng,Dapeng Cao J. Mater. Chem. A, 2014,2, 7662-7665
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