200,000+ products from a single source!
sales@angenechem.com
Home > Other Heterocycles > 76185-09-6
76185-09-6 | Hydroperoxide, 2,6,6-trimethylbicyclo[3.1.1]heptenyl
CAS No: 76185-09-6 Catalog No: AG005FEC MDL No:
Product Description
Catalog Number:
AG005FEC
Chemical Name:
Hydroperoxide, 2,6,6-trimethylbicyclo[3.1.1]heptenyl
CAS Number:
76185-09-6
Molecular Formula:
C10H16O2
Molecular Weight:
168.2328
IUPAC Name:
3-hydroperoxy-2,6,6-trimethylbicyclo[3.1.1]hept-1-ene
InChI:
InChI=1S/C10H16O2/c1-6-8-4-7(10(8,2)3)5-9(6)12-11/h7,9,11H,4-5H2,1-3H3
InChI Key:
AJRWWINKZKRWHS-UHFFFAOYSA-N
SMILES:
OOC1CC2CC(=C1C)C2(C)C
Properties
Complexity:
240
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.115g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
168.236g/mol
Monoisotopic Mass:
168.115g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.