200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 141392-40-7
141392-40-7 | 1-Octadecanone, 1-[4-(5,5-dimethyl-1,3-dioxan-2-yl)phenyl]-
CAS No: 141392-40-7 Catalog No: AG001GCM MDL No:
Product Description
Catalog Number:
AG001GCM
Chemical Name:
1-Octadecanone, 1-[4-(5,5-dimethyl-1,3-dioxan-2-yl)phenyl]-
CAS Number:
141392-40-7
Molecular Formula:
C30H50O3
Molecular Weight:
458.7162
IUPAC Name:
1-[4-(5,5-dimethyl-1,3-dioxan-2-yl)phenyl]octadecan-1-one
InChI:
InChI=1S/C30H50O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-28(31)26-20-22-27(23-21-26)29-32-24-30(2,3)25-33-29/h20-23,29H,4-19,24-25H2,1-3H3
InChI Key:
NUQFWACQWYGXGU-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCCC(=O)c1ccc(cc1)C1OCC(CO1)(C)C
Properties
Complexity:
483
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
458.376g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
458.727g/mol
Monoisotopic Mass:
458.376g/mol
Rotatable Bond Count:
18
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
10.6
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.