Cas no 16978-11-3 (Cyclobutaneacetic acid,3-acetyl-2,2-dimethyl-, methyl ester)
16978-11-3 structure
Product Name:Cyclobutaneacetic acid,3-acetyl-2,2-dimethyl-, methyl ester
CAS No:16978-11-3
MF:C11H18O3
MW:198.258823871613
CID:191683
PubChem ID:86494
Update Time:2025-04-19
Cyclobutaneacetic acid,3-acetyl-2,2-dimethyl-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- Cyclobutaneacetic acid,3-acetyl-2,2-dimethyl-, methyl ester
- methyl 2-(3-acetyl-2,2-dimethylcyclobutyl)acetate
- methyl 3-acetyl-2,2-dimethylcyclobutaneacetate
- (+/-)-methyl cis-pinonate
- (+-)-(2.2-Dimethyl-3c-acetyl-cyclobutyl-(r))-essigsaeure-methylester
- (+-)-(3c-acetyl-2,2-dimethyl-cyclobut-r-yl)-acetic acid methyl ester
- (+-)-(3c-Acetyl-2,2-dimethyl-cyclobut-r-yl)-essigsaeure-methylester
- (+-)-cis-Pinonsaeure-methylester
- AC1L3BO5
- AC1Q5ZTV
- AGN-PC-00925A
- EINECS 241-055-2
- Methyl pinonate
- methyl(3-acetyl-2,2-dimethylcyclobutyl)acetate
- NSC96756
- pinonic acid methyl ester
- SureCN2818518
- 3-Acetyl-2,2-dimethylcyclobutane-1-acetic acid methyl ester
- DTXSID90937679
- Cyclobutaneacetic acid, 3-acetyl-2,2-dimethyl-, methyl ester
- NSC-96756
- methyl (3-acetyl-2,2-dimethylcyclobutyl)acetate
- NS00054138
- Cyclobutaneacetic acid,2-dimethyl-, methyl ester
- 16978-11-3
- SCHEMBL2818518
- NSC 96756
-
- Inchi: 1S/C11H18O3/c1-7(12)9-5-8(11(9,2)3)6-10(13)14-4/h8-9H,5-6H2,1-4H3
- InChI Key: DVAHCHCZPNEYNF-UHFFFAOYSA-N
- SMILES: O=C(C)C1CC(CC(=O)OC)C1(C)C
Computed Properties
- Exact Mass: 198.12564
- Monoisotopic Mass: 198.126
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 4
- Complexity: 255
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.3
- Topological Polar Surface Area: 43.4?2
Experimental Properties
- Density: 1
- Boiling Point: 248.9°Cat760mmHg
- Flash Point: 101.3°C
- Refractive Index: 1.444
- PSA: 43.37
- LogP: 1.80080
Cyclobutaneacetic acid,3-acetyl-2,2-dimethyl-, methyl ester Related Literature
-
Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
-
Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
-
Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
-
Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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