Cas no 4941-93-9 ((2e,4e)-3-methyl-5-(2,6,6-trimethylcyclohexen-1-yl)penta-2,4-dienoic Acid)
4941-93-9 structure
Product Name:(2e,4e)-3-methyl-5-(2,6,6-trimethylcyclohexen-1-yl)penta-2,4-dienoic Acid
CAS No:4941-93-9
MF:C15H22O2
MW:234.333984851837
CID:932369
PubChem ID:5355027
Update Time:2025-04-19
(2e,4e)-3-methyl-5-(2,6,6-trimethylcyclohexen-1-yl)penta-2,4-dienoic Acid Chemical and Physical Properties
Names and Identifiers
-
- (2e,4e)-3-methyl-5-(2,6,6-trimethylcyclohexen-1-yl)penta-2,4-dienoic Acid
- C15 acid
- NSC23978
- all-trans-5-(2,6,6-Trimethylcyclohexen-1-yl)-3-methylpenta-2,4-diene-1 acid
- 4941-93-9
- SCHEMBL8776466
- 2,4-Pentadienoic acid, 3-methyl-5-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (E,E)-
- BASF 36592
- trans-beta-Ionylidene acetic acid
- (E,E)-3-Methyl-5-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4-pentadienoic acid
- (2e,4e)-3-methyl-5-(2,6,6-trimethylcyclohex-1-enyl) penta-2,4-dienoic acid
- 14398-42-6
- NSC-23978
- trans,trans-beta-Ionylideneacetic acid
- RO 4-6230
- SCHEMBL11790962
-
- Inchi： 1S/C15H22O2/c1-11(10-14(16)17)7-8-13-12(2)6-5-9-15(13,3)4/h7-8,10H,5-6,9H2,1-4H3,(H,16,17)/b8-7+,11-10+
- InChI Key： QPYAIIGNPFMEIE-ZDVGBALWSA-N
- SMILES： OC(/C=C(\C)/C=C/C1=C(C)CCCC1(C)C)=O
Computed Properties
- Exact Mass: 234.16206
- Monoisotopic Mass: 234.161979940g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 17
- Rotatable Bond Count: 3
- Complexity: 395
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 2
- Undefined Bond Stereocenter Count: 0
- XLogP3: 4.4
- Topological Polar Surface Area: 37.3?2
Experimental Properties
- PSA: 37.3
(2e,4e)-3-methyl-5-(2,6,6-trimethylcyclohexen-1-yl)penta-2,4-dienoic Acid Related Literature
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
-
Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
4941-93-9 ((2e,4e)-3-methyl-5-(2,6,6-trimethylcyclohexen-1-yl)penta-2,4-dienoic Acid) Related Products
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