Cas no 7144-66-3 (3-methylbutyl 1-hydroxycyclopentane-1-carboxylate)
7144-66-3 structure
Product Name:3-methylbutyl 1-hydroxycyclopentane-1-carboxylate
CAS No:7144-66-3
MF:C11H20O3
MW:200.274703979492
CID:1752308
PubChem ID:245455
Update Time:2025-04-21
3-methylbutyl 1-hydroxycyclopentane-1-carboxylate Chemical and Physical Properties
Names and Identifiers
-
- 3-methylbutyl 1-hydroxycyclopentane-1-carboxylate
- 3-methylbutyl 1-hydroxycyclopentanecarboxylate
- NSC57416
- AC1L6FWZ
- AC1Q66IH
- CTK5D4096
- AR-1F4403
- NSC-57416
- AG-J-20409
- 3-methylbutyl 1-hydroxycyclopentanecarboxylate; NSC57416; AC1L6FWZ; AC1Q66IH; CTK5D4096; AR-1F4403; NSC-57416; AG-J-20409;
- DTXSID30288738
- 7144-66-3
-
- Inchi： 1S/C11H20O3/c1-9(2)5-8-14-10(12)11(13)6-3-4-7-11/h9,13H,3-8H2,1-2H3
- InChI Key： QPCAMOSHLHFZLJ-UHFFFAOYSA-N
- SMILES： OC1(C(=O)OCCC(C)C)CCCC1
Computed Properties
- Exact Mass: 200.1413
- Monoisotopic Mass: 200.141245
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 5
- Complexity: 193
- 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
- Topological Polar Surface Area: 46.5
- XLogP3: 2.2
Experimental Properties
- Density: 1.064
- Boiling Point: 257.9°C at 760 mmHg
- Flash Point: 96.5°C
- Refractive Index: 1.485
- PSA: 46.53
- LogP: 1.88080
3-methylbutyl 1-hydroxycyclopentane-1-carboxylate Related Literature
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Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
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Daniel Messmer,Stefan Salentinig,Jakob Heier Nanoscale, 2019,11, 6929-6938
-
Gerald J. Meyer,Leif Hammarstr?m Chem. Sci., 2020,11, 3460-3473
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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