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Home > Other Heterocycles > 2060007-26-1
2060007-26-1 | {6-tert-butyl-1-oxaspiro[4.4]nonan-2-yl}methanol
CAS No: 2060007-26-1 Catalog No: AG01BYG4 MDL No:MFCD30486670
Product Description
Catalog Number:
AG01BYG4
Chemical Name:
{6-tert-butyl-1-oxaspiro[4.4]nonan-2-yl}methanol
CAS Number:
2060007-26-1
Molecular Formula:
C13H24O2
Molecular Weight:
212.3285
MDL Number:
MFCD30486670
IUPAC Name:
(9-tert-butyl-1-oxaspiro[4.4]nonan-2-yl)methanol
InChI:
InChI=1S/C13H24O2/c1-12(2,3)11-5-4-7-13(11)8-6-10(9-14)15-13/h10-11,14H,4-9H2,1-3H3
InChI Key:
OZFBIQJQAQERRQ-UHFFFAOYSA-N
SMILES:
OCC1CCC2(O1)CCCC2C(C)(C)C
Properties
Complexity:
231
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.178g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
212.333g/mol
Monoisotopic Mass:
212.178g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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