200,000+ products from a single source!

sales@angenechem.com

Home > Other Building Blocks > 116651-92-4

116651-92-4

116651-92-4 | 1,3-Dioxane-5-methanol, 5-ethyl-2-nonyl-

CAS No: 116651-92-4 Catalog No: AG000CXN MDL No:

Product Description

Catalog Number:
AG000CXN
Chemical Name:
1,3-Dioxane-5-methanol, 5-ethyl-2-nonyl-
CAS Number:
116651-92-4
Molecular Formula:
C16H32O3
Molecular Weight:
272.4235
IUPAC Name:
(5-ethyl-2-nonyl-1,3-dioxan-5-yl)methanol
InChI:
InChI=1S/C16H32O3/c1-3-5-6-7-8-9-10-11-15-18-13-16(4-2,12-17)14-19-15/h15,17H,3-14H2,1-2H3
InChI Key:
PSQZTZBHTKCBJJ-UHFFFAOYSA-N
SMILES:
CCCCCCCCCC1OCC(CO1)(CC)CO

Properties

Complexity:
210  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.235g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
272.429g/mol
Monoisotopic Mass:
272.235g/mol
Rotatable Bond Count:
10  
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7  

© 2019 Angene International Limited. All rights Reserved.