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Home > Other Heterocycles > 81842-15-1
81842-15-1 | 1,4-Dioxaspiro[4.5]dec-6-ene-8-pentanoic acid, ethyl ester
CAS No: 81842-15-1 Catalog No: AG0050C2 MDL No:
Product Description
Catalog Number:
AG0050C2
Chemical Name:
1,4-Dioxaspiro[4.5]dec-6-ene-8-pentanoic acid, ethyl ester
CAS Number:
81842-15-1
Molecular Formula:
C15H24O4
Molecular Weight:
268.3487
IUPAC Name:
ethyl 5-(1,4-dioxaspiro[4.5]dec-6-en-8-yl)pentanoate
InChI:
InChI=1S/C15H24O4/c1-2-17-14(16)6-4-3-5-13-7-9-15(10-8-13)18-11-12-19-15/h7,9,13H,2-6,8,10-12H2,1H3
InChI Key:
AAQMZOCFFJWABW-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCCCC1CCC2(C=C1)OCCO2
Properties
Complexity:
318
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.167g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
268.353g/mol
Monoisotopic Mass:
268.167g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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