Cas no 630096-58-1 (1-Octyne-3,5-diol, 4,7-dimethyl-, (3S,4S,5R)-)
630096-58-1 structure
Product Name:1-Octyne-3,5-diol, 4,7-dimethyl-, (3S,4S,5R)-
CAS No:630096-58-1
MF:C10H18O2
MW:170.248723506927
CID:1643538
Update Time:2024-08-30
1-Octyne-3,5-diol, 4,7-dimethyl-, (3S,4S,5R)- Chemical and Physical Properties
Names and Identifiers
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- 1-Octyne-3,5-diol, 4,7-dimethyl-, (3S,4S,5R)-
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- Inchi： 1S/C10H18O2/c1-5-9(11)8(4)10(12)6-7(2)3/h1,7-12H,6H2,2-4H3/t8-,9-,10-/m1/s1
- InChI Key： OWOMMSUWHUGACI-OPRDCNLKSA-N
- SMILES： C#C[C@@H](O)[C@@H](C)[C@H](O)CC(C)C
Computed Properties
- Exact Mass: 170.13074
Experimental Properties
- Density: 0.979±0.06 g/cm3(Predicted)
- Boiling Point: 280.2±20.0 °C(Predicted)
- PSA: 40.46
- pka: 12.89±0.20(Predicted)
1-Octyne-3,5-diol, 4,7-dimethyl-, (3S,4S,5R)- Related Literature
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Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
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