200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 113818-45-4
113818-45-4 | Cyclopentene, pentaoctyl- (9CI)
CAS No: 113818-45-4 Catalog No: AG0009T1 MDL No:
Product Description
Catalog Number:
AG0009T1
Chemical Name:
Cyclopentene, pentaoctyl- (9CI)
CAS Number:
113818-45-4
Molecular Formula:
C45H88
Molecular Weight:
629.1802
IUPAC Name:
1,2,3,3,4-pentaoctylcyclopentene
InChI:
InChI=1S/C45H88/c1-6-11-16-21-26-31-36-42-41-43(37-32-27-22-17-12-7-2)45(39-34-29-24-19-14-9-4,40-35-30-25-20-15-10-5)44(42)38-33-28-23-18-13-8-3/h43H,6-41H2,1-5H3
InChI Key:
GXCRHRVKZDBERC-UHFFFAOYSA-N
SMILES:
CCCCCCCCC1=C(CCCCCCCC)C(C(C1)CCCCCCCC)(CCCCCCCC)CCCCCCCC
Properties
Complexity:
624
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
628.689g/mol
Formal Charge:
0
Heavy Atom Count:
45
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
629.199g/mol
Monoisotopic Mass:
628.689g/mol
Rotatable Bond Count:
35
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
21.6
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.