Cas no 119189-26-3 (Benzene, 1,1'-(2,3-dimethyl-1,4-butanediyl)bis[3,4-dipropoxy-)
119189-26-3 structure
Product Name:Benzene, 1,1'-(2,3-dimethyl-1,4-butanediyl)bis[3,4-dipropoxy-
CAS No:119189-26-3
MF:C30H46O4
MW:470.683849811554
CID:1209775
PubChem ID:19433335
Update Time:2025-04-20
Benzene, 1,1'-(2,3-dimethyl-1,4-butanediyl)bis[3,4-dipropoxy- Chemical and Physical Properties
Names and Identifiers
-
- 4-[4-(3,4-dipropoxyphenyl)-2,3-dimethylbutyl]-1,2-dipropoxybenzene
- SCHEMBL2357665
- 119189-26-3
- 1,1'-(2,3-Dimethylbutane-1,4-diyl)bis(3,4-dipropoxybenzene)
- DTXSID60598796
- Benzene, 1,1'-(2,3-dimethyl-1,4-butanediyl)bis[3,4-dipropoxy-
-
- Inchi： 1S/C30H46O4/c1-7-15-31-27-13-11-25(21-29(27)33-17-9-3)19-23(5)24(6)20-26-12-14-28(32-16-8-2)30(22-26)34-18-10-4/h11-14,21-24H,7-10,15-20H2,1-6H3
- InChI Key： WPMPELWLRQEGOR-UHFFFAOYSA-N
- SMILES： O(CCC)C1=C(C=CC(=C1)CC(C)C(C)CC1C=CC(=C(C=1)OCCC)OCCC)OCCC
Computed Properties
- Exact Mass: 470.33960994g/mol
- Monoisotopic Mass: 470.33960994g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 34
- Rotatable Bond Count: 17
- Complexity: 454
- 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: 9.2
- Topological Polar Surface Area: 36.9?2
Benzene, 1,1'-(2,3-dimethyl-1,4-butanediyl)bis[3,4-dipropoxy- Related Literature
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Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
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Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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