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112482-19-6 | 4,8-Dioxaspiro[2.5]octane, 1-(1-cycloocten-1-yl)-2,6,6-trimethyl-, cis-
CAS No: 112482-19-6 Catalog No: AG007ASV MDL No:
Product Description
Catalog Number:
AG007ASV
Chemical Name:
4,8-Dioxaspiro[2.5]octane, 1-(1-cycloocten-1-yl)-2,6,6-trimethyl-, cis-
CAS Number:
112482-19-6
Molecular Formula:
C17H28O2
Molecular Weight:
264.4030
IUPAC Name:
2-(cycloocten-1-yl)-1,6,6-trimethyl-4,8-dioxaspiro[2.5]octane
InChI:
InChI=1S/C17H28O2/c1-13-15(14-9-7-5-4-6-8-10-14)17(13)18-11-16(2,3)12-19-17/h9,13,15H,4-8,10-12H2,1-3H3
InChI Key:
XWUKCGYEFUMMCI-UHFFFAOYSA-N
SMILES:
C[C@@H]1[C@@H](C21OCC(CO2)(C)C)C1=CCCCCCC1
Properties
Complexity:
360
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.209g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
264.409g/mol
Monoisotopic Mass:
264.209g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
1
XLogP3:
4.4
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