200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 1331-39-1
1331-39-1 | Hexanol, trimethyl-
CAS No: 1331-39-1 Catalog No: AG00149H MDL No:
Product Description
Catalog Number:
AG00149H
Chemical Name:
Hexanol, trimethyl-
CAS Number:
1331-39-1
Molecular Formula:
C9H20O
Molecular Weight:
144.2545
IUPAC Name:
2,3-dimethylheptan-2-ol
InChI:
InChI=1S/C9H20O/c1-5-6-7-8(2)9(3,4)10/h8,10H,5-7H2,1-4H3
InChI Key:
PQSMEVPHTJECDZ-UHFFFAOYSA-N
SMILES:
OCCCCCC(C)(C)C
Properties
Complexity:
86.7
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
144.151g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
144.258g/mol
Monoisotopic Mass:
144.151g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.