200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 89450-12-4
89450-12-4 | 3-Decanol, 4-ethynyl-2-methyl-
CAS No: 89450-12-4 Catalog No: AG0044EA MDL No:
Product Description
Catalog Number:
AG0044EA
Chemical Name:
3-Decanol, 4-ethynyl-2-methyl-
CAS Number:
89450-12-4
Molecular Formula:
C13H24O
Molecular Weight:
196.3291
IUPAC Name:
4-ethynyl-2-methyldecan-3-ol
InChI:
InChI=1S/C13H24O/c1-5-7-8-9-10-12(6-2)13(14)11(3)4/h2,11-14H,5,7-10H2,1,3-4H3
InChI Key:
XIXAVCAPFKWIIW-UHFFFAOYSA-N
SMILES:
CCCCCCC(C(C(C)C)O)C#C
Properties
Complexity:
175
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.183g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
196.334g/mol
Monoisotopic Mass:
196.183g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.