Cas no 67401-26-7 (2-Cyclohexen-1-one,3-(2E)-2-buten-1-yl-2,4,4-trimethyl-)
67401-26-7 structure
Product Name:2-Cyclohexen-1-one,3-(2E)-2-buten-1-yl-2,4,4-trimethyl-
CAS No:67401-26-7
MF:C13H20O
MW:192.297304153442
CID:523350
PubChem ID:642507
Update Time:2025-04-19
2-Cyclohexen-1-one,3-(2E)-2-buten-1-yl-2,4,4-trimethyl- Chemical and Physical Properties
Names and Identifiers
-
- 2-Cyclohexen-1-one,3-(2E)-2-buten-1-yl-2,4,4-trimethyl-
- (E)-3-(2-Butenyl)-2,4,4-trimethylcyclohex-2-en-1-one
- I4CE2G8IBV
- DTXSID401209592
- 2-cyclohexen-1-one, 3-[(2E)-2-butenyl]-2,4,4-trimethyl-
- 2-Cyclohexen-1-one, 3-(2-butenyl)-2,4,4-trimethyl-, (E)-
- 3-[(E)-but-2-enyl]-2,4,4-trimethylcyclohex-2-en-1-one
- (E)-3-(2-butenyl)-2,4,4-trimethyl-2-cyclohexen-1-one
- 3-(2E)-2-Buten-1-yl-2,4,4-trimethyl-2-cyclohexen-1-one
- InChI=1/C13H20O/c1-5-6-7-11-10(2)12(14)8-9-13(11,3)4/h5-6H,7-9H2,1-4H3/b6-5
- Q27280433
- 67401-26-7
- NS00053025
- UNII-I4CE2G8IBV
- MEGASTIGMA-5,8(E)-DIEN-4-ONE
- EINECS 266-683-4
- 3-[(2E)-but-2-en-1-yl]-2,4,4-trimethylcyclohex-2-en-1-one
- SCHEMBL11241178
-
- 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-AATRIKPKSA-N
- SMILES： O=C1C(C)=C(C/C=C/C)C(C)(C)CC1
Computed Properties
- Exact Mass: 192.1515
- 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
- PSA: 17.07
2-Cyclohexen-1-one,3-(2E)-2-buten-1-yl-2,4,4-trimethyl- Related Literature
-
Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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Jonas Kind,Lukas Kaltschnee,Martin Leyendecker,Christina M. Thiele Chem. Commun., 2016,52, 12506-12509
-
Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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