Cas no 128899-83-2 ((3R,5R)-(+)-2,6-Dimethyl-3,5-heptanediol)
128899-83-2 structure
Product Name:(3R,5R)-(+)-2,6-Dimethyl-3,5-heptanediol
CAS No:128899-83-2
MF:C9H20O2
MW:160.253903388977
CID:2196647
PubChem ID:11008219
Update Time:2024-02-29
(3R,5R)-(+)-2,6-Dimethyl-3,5-heptanediol Chemical and Physical Properties
Names and Identifiers
-
- (3R,5R)-(+)-2,6-Dimethyl-3,5-heptanediol
- racem. 2,6-dimethyl-heptane-3,5-diol
- (3R,5R)-2,6-Dimethylheptane-3,5-diol
- (3R,5R)-2,6-Dimethyl-3,5-heptanediol
- tube1052
- 3,5-Heptanediol, 2,6-dimethyl-, (3R,5R)-
-
- Inchi： 1S/C9H20O2/c1-6(2)8(10)5-9(11)7(3)4/h6-11H,5H2,1-4H3/t8-,9-/m1/s1
- InChI Key： CPHZAYIWNZNICS-RKDXNWHRSA-N
- SMILES： CC(C)[C@H](O)C[C@@H](O)C(C)C
Computed Properties
- Exact Mass: 160.146329876g/mol
- Monoisotopic Mass: 160.146329876g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 4
- Complexity: 87.7
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 2
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2
- Topological Polar Surface Area: 40.5?2
Experimental Properties
- Color/Form: Not determined
- Solubility: Not determined
(3R,5R)-(+)-2,6-Dimethyl-3,5-heptanediol Related Literature
-
Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
-
J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
-
Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
128899-83-2 ((3R,5R)-(+)-2,6-Dimethyl-3,5-heptanediol) Related Products
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