Cas no 128347-56-8 (Cyclopropanecarboxylicacid, 2,2-dimethyl-3-(2-methyl-1-propen-1-yl)-,[3-[(pentyloxy)methyl]phenyl]methyl ester, (1R,3R)-)
![Cyclopropanecarboxylicacid, 2,2-dimethyl-3-(2-methyl-1-propen-1-yl)-,[3-[(pentyloxy)methyl]phenyl]methyl ester, (1R,3R)- structure](https://ossimg.kuujia.com/scimg/128500/128347-56-8x500.png)
128347-56-8 structure
Product Name:Cyclopropanecarboxylicacid, 2,2-dimethyl-3-(2-methyl-1-propen-1-yl)-,[3-[(pentyloxy)methyl]phenyl]methyl ester, (1R,3R)-
CAS No:128347-56-8
MF:C23H34O3
MW:358.514267444611
CID:183941
PubChem ID:182890
Update Time:2025-04-19
Cyclopropanecarboxylicacid, 2,2-dimethyl-3-(2-methyl-1-propen-1-yl)-,[3-[(pentyloxy)methyl]phenyl]methyl ester, (1R,3R)- Chemical and Physical Properties
Names and Identifiers
-
- Cyclopropanecarboxylicacid, 2,2-dimethyl-3-(2-methyl-1-propen-1-yl)-,[3-[(pentyloxy)methyl]phenyl]methyl ester, (1R,3R)-
- Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, (3-((pentyloxy)methyl)phenyl)methyl ester, (1R-trans)-
- 128347-56-8
- DTXSID50926105
- {3-[(Pentyloxy)methyl]phenyl}methyl 2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropane-1-carboxylate
-
- Inchi： 1S/C23H34O3/c1-6-7-8-12-25-15-18-10-9-11-19(14-18)16-26-22(24)21-20(13-17(2)3)23(21,4)5/h9-11,13-14,20-21H,6-8,12,15-16H2,1-5H3/t20-,21+/m1/s1
- InChI Key： MJHGJDSZUUDSNK-RTWAWAEBSA-N
- SMILES： O(CC1C=CC=C(COCCCCC)C=1)C([C@@H]1[C@@H](/C=C(\C)/C)C1(C)C)=O
Computed Properties
- Exact Mass: 358.25092
- Monoisotopic Mass: 358.25079494g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 26
- Rotatable Bond Count: 11
- Complexity: 476
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 2
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 6.9
- Topological Polar Surface Area: 35.5?2
Experimental Properties
- PSA: 35.53
Cyclopropanecarboxylicacid, 2,2-dimethyl-3-(2-methyl-1-propen-1-yl)-,[3-[(pentyloxy)methyl]phenyl]methyl ester, (1R,3R)- Related Literature
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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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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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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