Cas no 1181-23-3 (1,4-Naphthalenedione,2-(3-hydroxy-3,7,11,15-tetramethylhexadecyl)-3-methyl-)
1181-23-3 structure
Product Name:1,4-Naphthalenedione,2-(3-hydroxy-3,7,11,15-tetramethylhexadecyl)-3-methyl-
CAS No:1181-23-3
MF:C31H48O3
MW:468.711030006409
CID:164328
PubChem ID:188956
Update Time:2025-04-19
1,4-Naphthalenedione,2-(3-hydroxy-3,7,11,15-tetramethylhexadecyl)-3-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 1,4-Naphthalenedione,2-(3-hydroxy-3,7,11,15-tetramethylhexadecyl)-3-methyl-
- gamma-hydroxyvitamin K
- 2-(3-hydroxy-3,7,11,15-tetramethylhexadecyl)-3-methylnaphthalene-1,4-dione
- Hydroxyvitamin K
- SCHEMBL17296072
- 1181-23-3
- 1,4-Naphthalenedione, 2-(3-hydroxy-3,7,11,15-tetramethylhexadecyl)-3-methyl-
- DTXSID80922599
-
- Inchi： 1S/C31H48O3/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-20-31(6,34)21-19-26-25(5)29(32)27-17-7-8-18-28(27)30(26)33/h7-8,17-18,22-24,34H,9-16,19-21H2,1-6H3
- InChI Key： ZYZWUEIPVNFQQC-UHFFFAOYSA-N
- SMILES： OC(C)(CCC1C(C2C=CC=CC=2C(C=1C)=O)=O)CCCC(C)CCCC(C)CCCC(C)C
Computed Properties
- Exact Mass: 468.36054
- Monoisotopic Mass: 468.36
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 34
- Rotatable Bond Count: 15
- Complexity: 691
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 3
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 9.4
- Topological Polar Surface Area: 54.4?2
Experimental Properties
- Density: 0.993
- Boiling Point: 579.3°Cat760mmHg
- Flash Point: 318.2°C
- Refractive Index: 1.512
- PSA: 54.37
1,4-Naphthalenedione,2-(3-hydroxy-3,7,11,15-tetramethylhexadecyl)-3-methyl- Related Literature
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
1181-23-3 (1,4-Naphthalenedione,2-(3-hydroxy-3,7,11,15-tetramethylhexadecyl)-3-methyl-) Related Products
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