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Home > Other Heterocycles > 133961-14-5
133961-14-5 | 4,8-Dioxaspiro[2.5]oct-1-ene, 1-ethyl-6,6-dimethyl-
CAS No: 133961-14-5 Catalog No: AG00715A MDL No:
Product Description
Catalog Number:
AG00715A
Chemical Name:
4,8-Dioxaspiro[2.5]oct-1-ene, 1-ethyl-6,6-dimethyl-
CAS Number:
133961-14-5
Molecular Formula:
C10H16O2
Molecular Weight:
168.2328
IUPAC Name:
2-ethyl-6,6-dimethyl-4,8-dioxaspiro[2.5]oct-1-ene
InChI:
InChI=1S/C10H16O2/c1-4-8-5-10(8)11-6-9(2,3)7-12-10/h5H,4,6-7H2,1-3H3
InChI Key:
HEZQTIYZCKPYRC-UHFFFAOYSA-N
SMILES:
CCC1=CC21OCC(CO2)(C)C
Properties
Complexity:
218
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:
0
Isotope Atom Count:
0
Molecular Weight:
168.236g/mol
Monoisotopic Mass:
168.115g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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