200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 88245-74-3
88245-74-3 | 3-Hexen-1-yne,3,5-dimethyl-
CAS No: 88245-74-3 Catalog No: AG004AYC MDL No:
Product Description
Catalog Number:
AG004AYC
Chemical Name:
3-Hexen-1-yne,3,5-dimethyl-
CAS Number:
88245-74-3
Molecular Formula:
C8H12
Molecular Weight:
108.1809
IUPAC Name:
(E)-3,5-dimethylhex-3-en-1-yne
InChI:
InChI=1S/C8H12/c1-5-8(4)6-7(2)3/h1,6-7H,2-4H3/b8-6+
InChI Key:
HMVBQEAJQVQOTI-SOFGYWHQSA-N
SMILES:
CC(C=C(C#C)C)C
EC Number:
289-397-1
Properties
Complexity:
129
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
108.094g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
108.184g/mol
Monoisotopic Mass:
108.094g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.