Cas no 5453-17-8 (1,5-bis(oxolan-2-yl)pentan-3-yl hexanoate)
5453-17-8 structure
Product Name:1,5-bis(oxolan-2-yl)pentan-3-yl hexanoate
CAS No:5453-17-8
MF:C19H34O4
MW:326.470866680145
CID:941761
PubChem ID:227210
Update Time:2025-04-19
1,5-bis(oxolan-2-yl)pentan-3-yl hexanoate Chemical and Physical Properties
Names and Identifiers
-
- 1,5-bis(oxolan-2-yl)pentan-3-yl hexanoate
- 1,5-di(tetrahydrofuran-2-yl)pentan-3-yl hexanoate
- AC1L5FBU
- AC1Q5Y7H
- AR-1B8073
- CTK5A1479
- KST-1B6577
- NSC18554
- NSC-18554
- 5453-17-8
- DTXSID10280770
-
- Inchi： 1S/C19H34O4/c1-2-3-4-9-19(20)23-18(12-10-16-7-5-14-21-16)13-11-17-8-6-15-22-17/h16-18H,2-15H2,1H3
- InChI Key： RWQXCROPEVOBED-UHFFFAOYSA-N
- SMILES： O1CCCC1CCC(CCC1CCCO1)OC(CCCCC)=O
Computed Properties
- Exact Mass: 326.24600
- Monoisotopic Mass: 326.246
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 23
- Rotatable Bond Count: 12
- Complexity: 311
- 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: 44.8?2
Experimental Properties
- Density: 1.002
- Boiling Point: 419.9°C at 760 mmHg
- Flash Point: 180.2°C
- Refractive Index: 1.47
- PSA: 44.76000
- LogP: 4.39690
1,5-bis(oxolan-2-yl)pentan-3-yl hexanoate Related Literature
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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