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Home > Other Heterocycles > 208347-37-9
208347-37-9 | 5,5-dimethyl-hexahydro-1'H-spiro[1,3-dioxane-2,2'-pentalene]-5'-ol
CAS No: 208347-37-9 Catalog No: AG01C2NN MDL No:MFCD29762735
Product Description
Catalog Number:
AG01C2NN
Chemical Name:
5,5-dimethyl-hexahydro-1'H-spiro[1,3-dioxane-2,2'-pentalene]-5'-ol
CAS Number:
208347-37-9
Molecular Formula:
C13H22O3
Molecular Weight:
226.3120
MDL Number:
MFCD29762735
IUPAC Name:
5,5-dimethylspiro[1,3-dioxane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]-2'-ol
InChI:
InChI=1S/C13H22O3/c1-12(2)7-15-13(16-8-12)5-9-3-11(14)4-10(9)6-13/h9-11,14H,3-8H2,1-2H3
InChI Key:
YZUJXJRMZBEVIL-UHFFFAOYSA-N
SMILES:
OC1C[C@@H]2[C@H](C1)CC1(C2)OCC(CO1)(C)C
Properties
Complexity:
261
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.157g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
226.316g/mol
Monoisotopic Mass:
226.157g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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