Cas no 52537-34-5 (2,6,10-Dodecatrienoyl chloride, 3,7,11-trimethyl-, (Z,Z)-)
52537-34-5 structure
Product Name:2,6,10-Dodecatrienoyl chloride, 3,7,11-trimethyl-, (Z,Z)-
CAS No:52537-34-5
MF:C15H23ClO
MW:254.795523881912
CID:359391
PubChem ID:57199796
Update Time:2025-04-19
2,6,10-Dodecatrienoyl chloride, 3,7,11-trimethyl-, (Z,Z)- Chemical and Physical Properties
Names and Identifiers
-
- 2,6,10-Dodecatrienoyl chloride, 3,7,11-trimethyl-, (Z,Z)-
- 3,7,11-trimethyldodeca-2,6,10-trienoyl chloride
- 52537-34-5
- 3,7,11-trimethyldodeca-2,6,10-trienic acid chloride
- DTXSID40720533
- SDISMKKAORUZGC-UHFFFAOYSA-N
-
- Inchi： 1S/C15H23ClO/c1-12(2)7-5-8-13(3)9-6-10-14(4)11-15(16)17/h7,9,11H,5-6,8,10H2,1-4H3
- InChI Key： SDISMKKAORUZGC-UHFFFAOYSA-N
- SMILES： ClC(C=C(C)CCC=C(C)CC/C=C(\C)/C)=O
Computed Properties
- Exact Mass: 254.14389
- Monoisotopic Mass: 254.1437430g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 17
- Rotatable Bond Count: 7
- Complexity: 331
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 2
- XLogP3: 5.9
- Topological Polar Surface Area: 17.1?2
Experimental Properties
- PSA: 17.07
2,6,10-Dodecatrienoyl chloride, 3,7,11-trimethyl-, (Z,Z)- Related Literature
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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2. 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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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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