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Home > Other Heterocycles > 656835-34-6
656835-34-6 | 2,4-Dioxaspiro[5.5]undecan-8-ol, 3,3-dimethyl-10-(2-phenylethylidene)-
CAS No: 656835-34-6 Catalog No: AG006PPV MDL No:
Product Description
Catalog Number:
AG006PPV
Chemical Name:
2,4-Dioxaspiro[5.5]undecan-8-ol, 3,3-dimethyl-10-(2-phenylethylidene)-
CAS Number:
656835-34-6
Molecular Formula:
C19H26O3
Molecular Weight:
302.4079
IUPAC Name:
3,3-dimethyl-10-(2-phenylethylidene)-2,4-dioxaspiro[5.5]undecan-8-ol
InChI:
InChI=1S/C19H26O3/c1-18(2)21-13-19(14-22-18)11-16(10-17(20)12-19)9-8-15-6-4-3-5-7-15/h3-7,9,17,20H,8,10-14H2,1-2H3
InChI Key:
ORKYVLTXFGVUJW-UHFFFAOYSA-N
SMILES:
OC1CC(=CCc2ccccc2)CC2(C1)COC(OC2)(C)C
Properties
Complexity:
397
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.188g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
302.414g/mol
Monoisotopic Mass:
302.188g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
2.8
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