Cas no 1163-13-9 (1,4-Naphthalenedione,2-(3,7-dimethyl-2,6-octadien-1-yl)-3-methyl-)
1163-13-9 structure
Product Name:1,4-Naphthalenedione,2-(3,7-dimethyl-2,6-octadien-1-yl)-3-methyl-
CAS No:1163-13-9
MF:C21H24O2
MW:308.414066314697
CID:227899
PubChem ID:5280374
Update Time:2025-04-19
1,4-Naphthalenedione,2-(3,7-dimethyl-2,6-octadien-1-yl)-3-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 1,4-Naphthalenedione,2-(3,7-dimethyl-2,6-octadien-1-yl)-3-methyl-
- 2-[(2E)-3,7-dimethylocta-2,6-dienyl]-3-methylnaphthalene-1,4-dione
- 1,4-Naphthalenedione,2-(3,7-dimethyl-2,6-octadienyl)-3-methyl- (9CI)
- 1,4-Naphthoquinone, 2-(3,7-dimethyl-2,6-octadienyl)-3-methyl-(6CI,7CI,8CI)
- C00828
- GTPL2771
- menaquinone(2)
- CHEMBL263382
- 2-[(2E)-3,7-dimethylocta-2,6-dienyl]-3-methyl-naphthalene-1,4-dione
- HMS2098K22
- NS00124512
- 2-[(2E)-3,7-dimethylocta-2,6-dienyl]-3-methyl-1,4-naphthoquinone
- 2-(3,7-Dimethyl-2,6-octadienyl)-3-methyl-1,4-naphthoquinone
- Prestwick3_001100
- MK-2
- 2-(3,7-dimethylocta-2,6-dienyl)-3-methylnaphthalene-1,4-dione
- AB00514047
- AKOS015899893
- PTWSIIUEOFZCHW-NTCAYCPXSA-N
- BPBio1_001298
- menaquinone-2
- 1163-13-9
- 7421-23-0
- 1,4-Naphthoquinone, 2-(3,7-dimethyl-2,6-octadienyl)-3-methyl-
- BSPBio_001180
- SCHEMBL416517
-
- Inchi： 1S/C21H24O2/c1-14(2)8-7-9-15(3)12-13-17-16(4)20(22)18-10-5-6-11-19(18)21(17)23/h5-6,8,10-12H,7,9,13H2,1-4H3/b15-12+
- InChI Key： PTWSIIUEOFZCHW-NTCAYCPXSA-N
- SMILES： O=C1C2C=CC=CC=2C(C(C)=C1C/C=C(\C)/CC/C=C(\C)/C)=O
Computed Properties
- Exact Mass: 308.17772
- Monoisotopic Mass: 308.17763
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 23
- Rotatable Bond Count: 5
- Complexity: 571
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- XLogP3: 5.2
- Topological Polar Surface Area: 34.1
Experimental Properties
- PSA: 34.14
1,4-Naphthalenedione,2-(3,7-dimethyl-2,6-octadien-1-yl)-3-methyl- Related Literature
-
Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
-
Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
-
Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
-
Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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