Cas no 6790-19-8 (1-Dodecanone, 1-(2-thienyl)-)
1-Dodecanone, 1-(2-thienyl)- structure
Product Name:1-Dodecanone, 1-(2-thienyl)-
CAS No:6790-19-8
MF:C16H26OS
MW:266.442043781281
CID:393950
PubChem ID:3588081
Update Time:2025-04-19
1-Dodecanone, 1-(2-thienyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1-Dodecanone, 1-(2-thienyl)-
- 1-thiophen-2-yldodecan-1-one
- SCHEMBL8972518
- 2-dodeca-noylthiophene
- 1-Thiophen-2-yl-dodecan-1-one
- 2-dodecanoylthiophene
- PYUCCIPSJSOPEO-UHFFFAOYSA-N
- 6790-19-8
- DTXSID40393923
- AKOS014785071
-
- Inchi： 1S/C16H26OS/c1-2-3-4-5-6-7-8-9-10-12-15(17)16-13-11-14-18-16/h11,13-14H,2-10,12H2,1H3
- InChI Key： PYUCCIPSJSOPEO-UHFFFAOYSA-N
- SMILES： S1C=CC=C1C(CCCCCCCCCCC)=O
Computed Properties
- Exact Mass: 266.17043662g/mol
- Monoisotopic Mass: 266.17043662g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 18
- Rotatable Bond Count: 11
- Complexity: 215
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 6.8
- Topological Polar Surface Area: 45.3?2
1-Dodecanone, 1-(2-thienyl)- Related Literature
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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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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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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5. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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