Cas no 30456-28-1 (1-Butanol, 2,2-bis[(decyloxy)methyl]-)
![1-Butanol, 2,2-bis[(decyloxy)methyl]- structure](https://ossimg.kuujia.com/scimg/30500/30456-28-1x500.png)
30456-28-1 structure
Product Name:1-Butanol, 2,2-bis[(decyloxy)methyl]-
CAS No:30456-28-1
MF:C26H54O3
MW:414.705169200897
CID:1443183
PubChem ID:71361310
Update Time:2025-04-20
1-Butanol, 2,2-bis[(decyloxy)methyl]- Chemical and Physical Properties
Names and Identifiers
-
- 1-Butanol, 2,2-bis[(decyloxy)methyl]-
- 2,2-bis(decoxymethyl)butan-1-ol
- 30456-28-1
- DTXSID70785054
- SCHEMBL15411856
- 2,2-BIS[(DECYLOXY)METHYL]BUTAN-1-OL
-
- Inchi： 1S/C26H54O3/c1-4-7-9-11-13-15-17-19-21-28-24-26(6-3,23-27)25-29-22-20-18-16-14-12-10-8-5-2/h27H,4-25H2,1-3H3
- InChI Key： JLLQKBVNECJPLF-UHFFFAOYSA-N
- SMILES： O(CCCCCCCCCC)CC(CO)(COCCCCCCCCCC)CC
Computed Properties
- Exact Mass: 414.40752
- Monoisotopic Mass: 414.40729558g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 29
- Rotatable Bond Count: 24
- Complexity: 282
- 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: 9.3
- Topological Polar Surface Area: 38.7?2
Experimental Properties
- PSA: 38.69
1-Butanol, 2,2-bis[(decyloxy)methyl]- Related Literature
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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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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