Cas no 113736-30-4 (tetradecyl 3-[4-(3-oxo-3-tetradecoxyprop-1-enyl)phenyl]prop-2-enoate)
113736-30-4 structure
Product Name:tetradecyl 3-[4-(3-oxo-3-tetradecoxyprop-1-enyl)phenyl]prop-2-enoate
CAS No:113736-30-4
MF:C40H66O4
MW:610.949653148651
CID:2611512
PubChem ID:71337664
Update Time:2025-04-21
tetradecyl 3-[4-(3-oxo-3-tetradecoxyprop-1-enyl)phenyl]prop-2-enoate Chemical and Physical Properties
Names and Identifiers
-
- tetradecyl 3-[4-(3-oxo-3-tetradecoxyprop-1-enyl)phenyl]prop-2-enoate
- Ditetradecyl 3,3'-(1,4-phenylene)di(prop-2-enoate)
- 113736-30-4
- DTXSID10765355
-
- Inchi: 1S/C40H66O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-35-43-39(41)33-31-37-27-29-38(30-28-37)32-34-40(42)44-36-26-24-22-20-18-16-14-12-10-8-6-4-2/h27-34H,3-26,35-36H2,1-2H3
- InChI Key: UEMHYDACGBTCPZ-UHFFFAOYSA-N
- SMILES: O(C(C=CC1C=CC(=CC=1)C=CC(=O)OCCCCCCCCCCCCCC)=O)CCCCCCCCCCCCCC
Computed Properties
- Exact Mass: 610.49611058Da
- Monoisotopic Mass: 610.49611058Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 44
- Rotatable Bond Count: 32
- Complexity: 644
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 2
- XLogP3: 15.8
- Topological Polar Surface Area: 52.6?2
tetradecyl 3-[4-(3-oxo-3-tetradecoxyprop-1-enyl)phenyl]prop-2-enoate Related Literature
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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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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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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