Cas no 179695-10-4 (3-Methylhexane-1,3-diol)
3-Methylhexane-1,3-diol structure
Product Name:3-Methylhexane-1,3-diol
CAS No:179695-10-4
MF:C7H16O2
MW:132.200742721558
CID:2783120
Update Time:2023-08-07
3-Methylhexane-1,3-diol Chemical and Physical Properties
Names and Identifiers
-
- 3-Methylhexan-1,3-diol
- 3-Methylhexane-1,3-diol
- 3-methyl-1,3-hexanediol
-
- Inchi： 1S/C7H16O2/c1-3-4-7(2,9)5-6-8/h8-9H,3-6H2,1-2H3
- InChI Key： RPMYTAWDAZFCBO-UHFFFAOYSA-N
- SMILES： OC(C)(CCO)CCC
Computed Properties
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 9
- Rotatable Bond Count: 4
- Complexity: 73.3
- XLogP3: 0.7
- Topological Polar Surface Area: 40.5
3-Methylhexane-1,3-diol Related Literature
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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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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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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