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Home > Other Heterocycles > 87640-91-3
87640-91-3 | 1,4-Dioxaspiro[4.5]dec-7-ene, 8-(1,5-dimethyl-4-hexenyl)-
CAS No: 87640-91-3 Catalog No: AG004OMX MDL No:
Product Description
Catalog Number:
AG004OMX
Chemical Name:
1,4-Dioxaspiro[4.5]dec-7-ene, 8-(1,5-dimethyl-4-hexenyl)-
CAS Number:
87640-91-3
Molecular Formula:
C16H26O2
Molecular Weight:
250.3764
IUPAC Name:
8-(6-methylhept-5-en-2-yl)-1,4-dioxaspiro[4.5]dec-7-ene
InChI:
InChI=1S/C16H26O2/c1-13(2)5-4-6-14(3)15-7-9-16(10-8-15)17-11-12-18-16/h5,7,14H,4,6,8-12H2,1-3H3
InChI Key:
SBSKJEMWIVMESA-UHFFFAOYSA-N
SMILES:
CC(=CCCC(C1=CCC2(CC1)OCCO2)C)C
Properties
Complexity:
331
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.193g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
250.382g/mol
Monoisotopic Mass:
250.193g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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