Cas no 54131-61-2 (4-Nonanol, 1-chloro-8-methyl-)
4-Nonanol, 1-chloro-8-methyl- structure
Product Name:4-Nonanol, 1-chloro-8-methyl-
CAS No:54131-61-2
MF:C10H21ClO
MW:192.726142644882
CID:355366
PubChem ID:20322252
Update Time:2025-04-19
4-Nonanol, 1-chloro-8-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 4-Nonanol, 1-chloro-8-methyl-
- 1-chloro-8-methyl-4-Nonanol
- 1-chloro-8-methylnonan-4-ol
- SCHEMBL11603414
- 54131-61-2
- UCVPXWNVYREMER-UHFFFAOYSA-N
- FT-0731049
- DTXSID20605213
- AKOS017529142
-
- Inchi： 1S/C10H21ClO/c1-9(2)5-3-6-10(12)7-4-8-11/h9-10,12H,3-8H2,1-2H3
- InChI Key： UCVPXWNVYREMER-UHFFFAOYSA-N
- SMILES： ClCCCC(CCCC(C)C)O
Computed Properties
- Exact Mass: 192.12823
- Monoisotopic Mass: 192.1280930g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 12
- Rotatable Bond Count: 7
- Complexity: 93.8
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.5
- Topological Polar Surface Area: 20.2?2
Experimental Properties
- PSA: 20.23
4-Nonanol, 1-chloro-8-methyl- Related Literature
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
-
Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
-
Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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