Cas no 38011-55-1 (2-Methylhepta-2,5-dien-4-one)
2-Methylhepta-2,5-dien-4-one structure
Product Name:2-Methylhepta-2,5-dien-4-one
CAS No:38011-55-1
MF:C8H12O
MW:124.180282592773
CID:2824848
PubChem ID:54105339
Update Time:2025-04-21
2-Methylhepta-2,5-dien-4-one Chemical and Physical Properties
Names and Identifiers
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- DTXSID00709061
- DTXCID90659809
- 2-methyl-2,5-heptadien-4-one
- 38011-55-1
- 2-Methylhepta-2,5-dien-4-one
-
- Inchi： 1S/C8H12O/c1-4-5-8(9)6-7(2)3/h4-6H,1-3H3
- InChI Key： NDIQNZBBNBMLMR-UHFFFAOYSA-N
- SMILES： O=C(C=CC)/C=C(\C)/C
Computed Properties
- Exact Mass: 124.088815002g/mol
- Monoisotopic Mass: 124.088815002g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 9
- Rotatable Bond Count: 2
- Complexity: 148
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 1
- XLogP3: 2.2
- Topological Polar Surface Area: 17.1?2
2-Methylhepta-2,5-dien-4-one Related Literature
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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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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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