Cas no 39113-74-1 (1,3-Dioxane-5-methanol,2-(1-methylethyl)-)
39113-74-1 structure
Product Name:1,3-Dioxane-5-methanol,2-(1-methylethyl)-
CAS No:39113-74-1
MF:C8H16O3
MW:160.210843086243
CID:297306
PubChem ID:386845
Update Time:2025-04-19
1,3-Dioxane-5-methanol,2-(1-methylethyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Dioxane-5-methanol,2-(1-methylethyl)-
- 5-(Hydroxymethyl)-2-isopropyl-1,3-dioxane
- NSC 679579
- trans-2-(1-Methylethyl)-1,3-dioxane-5-methanol
- 39113-74-1
- (2-propan-2-yl-1,3-dioxan-5-yl)methanol
- DTXSID501246452
- 35113-53-2
- SCHEMBL7745015
- (2-Isopropyl-1,3-dioxan-5-yl)methanol
- 2-isopropyl-5-hydroxymethyl-1,3-dioxan
- ZZETUFLYPMIVJC-UHFFFAOYSA-N
- NCI60_028487
- 2-isopropyl-5-hydroxymethyl-1,3-dioxane
- NSC-679579
- CHEMBL1986779
- NSC679579
-
- Inchi： 1S/C8H16O3/c1-6(2)8-10-4-7(3-9)5-11-8/h6-9H,3-5H2,1-2H3
- InChI Key： ZZETUFLYPMIVJC-UHFFFAOYSA-N
- SMILES： O1CC(CO)COC1C(C)C
Computed Properties
- Exact Mass: 160.11
- Monoisotopic Mass: 160.11
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 2
- Complexity: 106
- 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: 0.8
- Topological Polar Surface Area: 38.7?2
1,3-Dioxane-5-methanol,2-(1-methylethyl)- Related Literature
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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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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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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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