Cas no 16253-72-8 (Heptanoic acid,3-methyl-, 1-methylpropyl ester)
16253-72-8 structure
Product Name:Heptanoic acid,3-methyl-, 1-methylpropyl ester
CAS No:16253-72-8
MF:C12H24O2
MW:200.317764282227
CID:169568
PubChem ID:85980
Update Time:2025-04-19
Heptanoic acid,3-methyl-, 1-methylpropyl ester Chemical and Physical Properties
Names and Identifiers
-
- Heptanoic acid,3-methyl-, 1-methylpropyl ester
- butan-2-yl 3-methylheptanoate
- SEC-BUTYL 3-METHYLHEPTANOATE
- Heptanoic acid, 3-methyl-, sec-butyl ester
- FT-0651719
- DTXSID80884880
- SCHEMBL11302676
- 16253-72-8
- 3-Methylheptanoic acid sec-butyl ester
- Heptanoic acid, 3-methyl-, 1-methylpropyl ester
- OARSNTXAKATCPL-UHFFFAOYSA-N
- 3-methyl-heptanoic acid 1-methyl-propyl ester
-
- Inchi： 1S/C12H24O2/c1-5-7-8-10(3)9-12(13)14-11(4)6-2/h10-11H,5-9H2,1-4H3
- InChI Key： OARSNTXAKATCPL-UHFFFAOYSA-N
- SMILES： O(C(C)CC)C(CC(C)CCCC)=O
Computed Properties
- Exact Mass: 200.17772
- Monoisotopic Mass: 200.177630004g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 8
- Complexity: 154
- 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: 4.3
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- PSA: 26.3
Heptanoic acid,3-methyl-, 1-methylpropyl ester Related Literature
-
Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
-
Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
-
Eunju Nam,Jiyeon Han,Sunhee Choi,Mi Hee Lim Chem. Commun., 2021,57, 7637-7640
-
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
16253-72-8 (Heptanoic acid,3-methyl-, 1-methylpropyl ester) Related Products
- 220621-22-7(5-(((1R,2S,5R)-2-Isopropyl-5-methylcyclohexyl)oxy)-5-oxopentanoic acid)
- 16409-46-4(2-Isopropyl-5-methylcyclohexyl 3-methylbutanoate)
- 77341-67-4(4-(((1R,2S,5R)-2-Isopropyl-5-methylcyclohexyl)oxy)-4-oxobutanoic acid)
- 39212-23-2(Whiskey lactone)
- 32539-85-8(Pentadecanolide)
- 4430-31-3(Octahydro-2H-chromen-2-one)
- 7011-83-8(Dihydrojasmone lactone)
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
Recommended suppliers
Hangzhou TSurgeX Pharmaceutical Technology Co., Ltd.
Gold Member
Audited Supplier
CN Supplier
Reagent
Shandong Jing Kun Chemical Co.,Ltd.
Gold Member
Audited Supplier
CN Supplier
Bulk
Shanghai Hongxiang Biomedical Technology Co., Ltd.
Gold Member
Audited Supplier
CN Supplier
Bulk
Zouping Mingyuan Import and Export Trading Co., Ltd
Gold Member
Audited Supplier
CN Supplier
Reagent
NewCan Biotech Limited
Gold Member
Audited Supplier
CN Supplier
Reagent
