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16000-71-8 | 8,9-Hexadecanediol
CAS No: 16000-71-8 Catalog No: AG001RKY MDL No:
Product Description
Catalog Number:
AG001RKY
Chemical Name:
8,9-Hexadecanediol
CAS Number:
16000-71-8
Molecular Formula:
C16H34O2
Molecular Weight:
258.4400
IUPAC Name:
hexadecane-8,9-diol
InChI:
InChI=1S/C16H34O2/c1-3-5-7-9-11-13-15(17)16(18)14-12-10-8-6-4-2/h15-18H,3-14H2,1-2H3
InChI Key:
RFBDIBWXIZGCFC-UHFFFAOYSA-N
SMILES:
CCCCCCCC(C(CCCCCCC)O)O
Properties
Complexity:
141
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.256g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
258.446g/mol
Monoisotopic Mass:
258.256g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
5.8
Literature
| Title | Journal |
|---|---|
| Acute toxicity and n-octanol/water partition coefficients of substituted thiophenols: determination and QSAR analysis. | Ecotoxicology and environmental safety 20120401 |
| Influence of pyridine versus piperidine ligands on the chemical, DNA binding and cytotoxic properties of light activated trans,trans,trans-[Pt(N3)2(OH)2(NH3)(L)]. | Journal of inorganic biochemistry 20110501 |
| [Research on QSPR for n-octanol-water partition coefficients of organic compounds based on genetic algorithms-support vector machine and genetic algorithms-radial basis function neural networks]. | Huan jing ke xue= Huanjing kexue 20080101 |
| Determination of n-octanol/water partition and membrane binding of cationic porphyrins. | International journal of pharmaceutics 20070201 |
| Application of ALOGPS to predict 1-octanol/water distribution coefficients, logP, and logD, of AstraZeneca in-house database. | Journal of pharmaceutical sciences 20041201 |
| Analyses of the partition coefficient, log P, using ab initio MO parameter and accessible surface area of solute molecules. | Journal of pharmaceutical sciences 20041101 |
| Open-label dose-escalation study of oral 1-octanol in patients with essential tremor. | Neurology 20040622 |
| Pilot trial of 1-octanol in essential tremor. | Neurology 20040113 |
| Vibrational spectroscopy of weak hydroxy acids used as extractants of sodium hydroxide into 1-octanol. | Applied spectroscopy 20030201 |
| Evaluation of 1-octanol degradation by photocatalysis and ultrasound using SPME. | Water research 20021001 |
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