Cas no 34611-82-0 ( )
structure
Product Name:
CAS No:34611-82-0
MF:C13H24
MW:180.329664230347
CID:919381
PubChem ID:5358317
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- 1-[(E)-hex-1-enyl]-2-methylcyclohexane
- AC1NSCB2
- NSC244856
- NSC-244856
- 34611-82-0
-
-
- Inchi： 1S/C13H24/c1-3-4-5-6-10-13-11-8-7-9-12(13)2/h6,10,12-13H,3-5,7-9,11H2,1-2H3/b10-6+
- InChI Key： AOTSAWDDMPEWGA-UXBLZVDNSA-N
- SMILES： C1(C)CCCCC1/C=C/CCCC
Computed Properties
- Exact Mass: 180.18792
- Monoisotopic Mass: 180.187800766g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 13
- Rotatable Bond Count: 4
- Complexity: 146
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- XLogP3: 5.6
- Topological Polar Surface Area: 0?2
Experimental Properties
- PSA: 0
- LogP: 4.55910
Related Literature
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Lei Yang,Yuan Zeng,Haibo Wu,Chunwu Zhou,Lei Tao J. Mater. Chem. B, 2020,8, 1383-1388
-
Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
-
Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
-
Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
-
Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
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