Cas no 189139-40-0 (2-Propanone, 1,3-bis(4-dodecylphenyl)-)
189139-40-0 structure
Product Name:2-Propanone, 1,3-bis(4-dodecylphenyl)-
CAS No:189139-40-0
MF:C39H62O
MW:546.908992290497
CID:1382600
PubChem ID:54386772
Update Time:2025-04-20
2-Propanone, 1,3-bis(4-dodecylphenyl)- Chemical and Physical Properties
Names and Identifiers
-
- 2-Propanone, 1,3-bis(4-dodecylphenyl)-
- 1,3-bis(4-dodecylphenyl)propan-2-one
- 189139-40-0
- DTXSID80711006
- SCHEMBL16267306
- VDULEEYQWWUKIT-UHFFFAOYSA-N
- 1,3-bis(4-dodecylphenyl)-propan-2-one
-
- Inchi： 1S/C39H62O/c1-3-5-7-9-11-13-15-17-19-21-23-35-25-29-37(30-26-35)33-39(40)34-38-31-27-36(28-32-38)24-22-20-18-16-14-12-10-8-6-4-2/h25-32H,3-24,33-34H2,1-2H3
- InChI Key： VDULEEYQWWUKIT-UHFFFAOYSA-N
- SMILES： O=C(CC1C=CC(=CC=1)CCCCCCCCCCCC)CC1C=CC(=CC=1)CCCCCCCCCCCC
Computed Properties
- Exact Mass: 546.48036
- Monoisotopic Mass: 546.480066597g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 40
- Rotatable Bond Count: 26
- Complexity: 503
- 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
- XLogP3: 15.6
- Topological Polar Surface Area: 17.1?2
Experimental Properties
- PSA: 17.07
2-Propanone, 1,3-bis(4-dodecylphenyl)- Related Literature
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
189139-40-0 (2-Propanone, 1,3-bis(4-dodecylphenyl)-) Related Products
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- 20795-51-1(1-Phenylpentan-3-one)
- 6683-92-7(1-Phenyl-2-pentanone)
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