Cas no 67401-25-6 ((Z)-3-(2-butenyl)-2,4,4-trimethylcyclohex-2-en-1-one)
67401-25-6 structure
Product Name:(Z)-3-(2-butenyl)-2,4,4-trimethylcyclohex-2-en-1-one
CAS No:67401-25-6
MF:C13H20O
MW:192.297304153442
CID:965954
PubChem ID:14109911
Update Time:2025-04-19
(Z)-3-(2-butenyl)-2,4,4-trimethylcyclohex-2-en-1-one Chemical and Physical Properties
Names and Identifiers
-
- (Z)-3-(2-butenyl)-2,4,4-trimethylcyclohex-2-en-1-one
- CYCLOHEXEN-1-ONE, 3-(2Z)-2-BUTENYL-2,4,4-TRIMETHYL-
- 3-(2-Butenyl)-2,4,4-trimethylcyclohex-2-en-1-one, (2Z)-
- CHEBI:192110
- (E)-5,8-Megastigmadien-4-one
- CVDHBGKYPTUEAA-WAYWQWQTSA-N
- Megastigma-5,8(Z)-dien-4-one
- 3-[(Z)-but-2-enyl]-2,4,4-trimethylcyclohex-2-en-1-one
- UNII-HLT92D5DPQ
- Cis Megastigma-5,8-diene-4-one
- DTXSID001308439
- Q27279998
- (2Z)-3-(2-butenyl)-2,4,4-trimethylcyclohex-2-en-1-one
- HLT92D5DPQ
- 67401-25-6
- EINECS 266-682-9
- NS00087223
- 3-[(2Z)-but-2-en-1-yl]-2,4,4-trimethylcyclohex-2-en-1-one
-
- Inchi： 1S/C13H20O/c1-5-6-7-11-10(2)12(14)8-9-13(11,3)4/h5-6H,7-9H2,1-4H3/b6-5-
- InChI Key： CVDHBGKYPTUEAA-WAYWQWQTSA-N
- SMILES： O=C1C(C)=C(C/C=C\C)C(C)(C)CC1
Computed Properties
- Exact Mass: 192.151415
- Monoisotopic Mass: 192.151415
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- Complexity: 292
- 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
- Topological Polar Surface Area: 17.1
- XLogP3: 3
Experimental Properties
- Density: 0.895
- Boiling Point: 270.5°Cat760mmHg
- Flash Point: 118.9°C
(Z)-3-(2-butenyl)-2,4,4-trimethylcyclohex-2-en-1-one Related Literature
-
Bo Chen,Xiaotong Shen,Zhangfeng Luo,Di Cai,Changjing Chen,Changwei Zhang,Peiyong Qin,Hui Cao,Tianwei Tan RSC Adv., 2018,8, 25602-25610
-
Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
-
Eunkyung Choi,Minjoo Ryu,Haeri Lee,Ok-Sang Jung Dalton Trans., 2017,46, 4595-4601
-
Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
-
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
67401-25-6 ((Z)-3-(2-butenyl)-2,4,4-trimethylcyclohex-2-en-1-one) Related Products
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