Cas no 59640-02-7 ((6E,10E,14E,18E,22E,26E,30E,34E)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-1,6,10,14,18,22,26,30,34,38-decaen-3-ol)
59640-02-7 structure
Product Name:(6E,10E,14E,18E,22E,26E,30E,34E)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-1,6,10,14,18,22,26,30,34,38-decaen-3-ol
CAS No:59640-02-7
MF:C50H82O
MW:699.185495853424
CID:1619649
PubChem ID:12942460
Update Time:2025-04-21
(6E,10E,14E,18E,22E,26E,30E,34E)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-1,6,10,14,18,22,26,30,34,38-decaen-3-ol Chemical and Physical Properties
Names and Identifiers
-
- (6E,10E,14E,18E,22E,26E,30E,34E)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-1,6,10,14,18,22,26,30,34,38-decaen-3-ol
- 1,6,10,14<wbr>
- LogP
- DTXSID501317675
- Isodecaprenol
- 59640-02-7
- SCHEMBL11518348
-
- Inchi： 1S/C50H82O/c1-13-50(12,51)40-22-39-49(11)38-21-37-48(10)36-20-35-47(9)34-19-33-46(8)32-18-31-45(7)30-17-29-44(6)28-16-27-43(5)26-15-25-42(4)24-14-23-41(2)3/h13,23,25,27,29,31,33,35,37,39,51H,1,14-22,24,26,28,30,32,34,36,38,40H2,2-12H3/b42-25+,43-27+,44-29+,45-31+,46-33+,47-35+,48-37+,49-39+
- InChI Key： TUTMVAYTCHJDDP-RYEKIIQNSA-N
- SMILES： OC(C=C)(C)CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/C
Computed Properties
- Exact Mass: 698.63696
- Monoisotopic Mass: 698.63656723g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 51
- Rotatable Bond Count: 28
- Complexity: 1260
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 8
- Undefined Bond Stereocenter Count: 0
- XLogP3: 17.6
- Topological Polar Surface Area: 20.2?2
Experimental Properties
- PSA: 20.23
(6E,10E,14E,18E,22E,26E,30E,34E)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-1,6,10,14,18,22,26,30,34,38-decaen-3-ol 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
-
Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
-
Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
-
Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
-
Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
59640-02-7 ((6E,10E,14E,18E,22E,26E,30E,34E)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-1,6,10,14,18,22,26,30,34,38-decaen-3-ol) Related Products
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