Cas no 93964-69-3 (Pentanoicacid, 4-cycloocten-1-yl ester)
93964-69-3 structure
Product Name:Pentanoicacid, 4-cycloocten-1-yl ester
CAS No:93964-69-3
MF:C13H22O2
MW:210.312584400177
CID:818188
PubChem ID:6366333
Update Time:2025-04-19
Pentanoicacid, 4-cycloocten-1-yl ester Chemical and Physical Properties
Names and Identifiers
-
- Pentanoicacid, 4-cycloocten-1-yl ester
- cyclooct-4-en-1-yl pentanoate
- cyclooct-4-en-1-yl valerate
- DTXSID901308648
- 4-Cycloocten-1-yl pentanoate
- EINECS 300-915-8
- 93964-69-3
-
- Inchi： 1S/C13H22O2/c1-2-3-11-13(14)15-12-9-7-5-4-6-8-10-12/h4-5,12H,2-3,6-11H2,1H3/b5-4-
- InChI Key： WIJXCQOLWPIWPZ-PLNGDYQASA-N
- SMILES： O(C(CCCC)=O)C1CCC=CCCC1 |c:10|
Computed Properties
- Exact Mass: 210.161979940g/mol
- Monoisotopic Mass: 210.161979940g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 15
- Rotatable Bond Count: 5
- Complexity: 209
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.8
- Topological Polar Surface Area: 26.3?2
Pentanoicacid, 4-cycloocten-1-yl ester Related Literature
-
Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
93964-69-3 (Pentanoicacid, 4-cycloocten-1-yl ester) Related Products
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- 76649-16-6(Ethyl trans-4-decenoate)
- 142-77-8(Butyl Oleate)
- 108321-49-9(9-Hexadecenoic acid,dodecyl ester, (9Z)-)
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- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
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