Cas no 7735-19-5 (2,3-Hexadecanediol)
2,3-Hexadecanediol structure
Product Name:2,3-Hexadecanediol
CAS No:7735-19-5
MF:C16H34O2
MW:258.439965724945
CID:536283
PubChem ID:54112850
Update Time:2025-04-19
2,3-Hexadecanediol Chemical and Physical Properties
Names and Identifiers
-
- 2,3-Hexadecanediol
- hexadecane-2,3-diol
- DTXSID70709114
- SCHEMBL16074830
- 7735-19-5
-
- Inchi： 1S/C16H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-16(18)15(2)17/h15-18H,3-14H2,1-2H3
- InChI Key： QRKWFXNOTVYLTK-UHFFFAOYSA-N
- SMILES： OC(C(C)O)CCCCCCCCCCCCC
Computed Properties
- Exact Mass: 258.25602
- Monoisotopic Mass: 258.255880323g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 18
- Rotatable Bond Count: 13
- Complexity: 159
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 6
- Topological Polar Surface Area: 40.5?2
Experimental Properties
- PSA: 40.46
2,3-Hexadecanediol Related Literature
-
Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
-
Somenath Panda,Kaushik Kundu,Anusha Basaiahgari,Sanjib Senapati,Ramesh L. Gardas New J. Chem., 2018,42, 7105-7118
-
Sandip Gangadhar Balwe,Yeon Tae Jeong Org. Biomol. Chem., 2018,16, 1287-1296
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