200,000+ products from a single source!
sales@angenechem.com
87336-95-6 | 1-Cyclododecene-1,2-dibutanoic acid, dimethyl ester, (E)-
CAS No: 87336-95-6 Catalog No: AG004L1K MDL No:
Product Description
Catalog Number:
AG004L1K
Chemical Name:
1-Cyclododecene-1,2-dibutanoic acid, dimethyl ester, (E)-
CAS Number:
87336-95-6
Molecular Formula:
C22H38O4
Molecular Weight:
366.5347
IUPAC Name:
methyl 4-[2-(4-methoxy-4-oxobutyl)cyclododecen-1-yl]butanoate
InChI:
InChI=1S/C22H38O4/c1-25-21(23)17-11-15-19-13-9-7-5-3-4-6-8-10-14-20(19)16-12-18-22(24)26-2/h3-18H2,1-2H3
InChI Key:
OQEOSNWJLAXDPH-UHFFFAOYSA-N
SMILES:
COC(=O)CCCC1=C(CCCC(=O)OC)CCCCCCCCCC1
Properties
Complexity:
399
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
366.277g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
366.542g/mol
Monoisotopic Mass:
366.277g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
5.7
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.