200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 80864-10-4
80864-10-4 | 1,4-Pentanediol, 2,2,4-trimethyl-
CAS No: 80864-10-4 Catalog No: AG0050U0 MDL No:
Product Description
Catalog Number:
AG0050U0
Chemical Name:
1,4-Pentanediol, 2,2,4-trimethyl-
CAS Number:
80864-10-4
Molecular Formula:
C8H18O2
Molecular Weight:
146.2273
IUPAC Name:
2,2,4-trimethylpentane-1,4-diol
InChI:
InChI=1S/C8H18O2/c1-7(2,6-9)5-8(3,4)10/h9-10H,5-6H2,1-4H3
InChI Key:
UPQBAPMBTTWGMM-UHFFFAOYSA-N
SMILES:
OCC(CC(O)(C)C)(C)C
Properties
Complexity:
106
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
146.131g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
146.23g/mol
Monoisotopic Mass:
146.131g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.