Cas no 101506-39-2 (Carbamic acid, octyl-, 1,1-dimethylethyl ester)
101506-39-2 structure
Product Name:Carbamic acid, octyl-, 1,1-dimethylethyl ester
CAS No:101506-39-2
MF:C13H27NO2
MW:229.358984231949
CID:2623145
Update Time:2023-08-07
Carbamic acid, octyl-, 1,1-dimethylethyl ester Chemical and Physical Properties
Names and Identifiers
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- Carbamic acid, octyl-, 1,1-dimethylethyl ester
- Octylcarbamic acid tert-butyl ester
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- Inchi： 1S/C13H27NO2/c1-5-6-7-8-9-10-11-14-12(15)16-13(2,3)4/h5-11H2,1-4H3,(H,14,15)
- InChI Key： WFNSSRVVNZGTTR-UHFFFAOYSA-N
- SMILES： O(C(NCCCCCCCC)=O)C(C)(C)C
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 16
- Rotatable Bond Count: 9
- Complexity: 185
- Topological Polar Surface Area: 38.3
Carbamic acid, octyl-, 1,1-dimethylethyl ester Related Literature
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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