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Home > Other Heterocycles > 1880998-18-4
1880998-18-4 | {6,8,8-trimethyl-1-oxaspiro[4.4]nonan-2-yl}methanol
CAS No: 1880998-18-4 Catalog No: AG01BYG0 MDL No:MFCD30486666
Product Description
Catalog Number:
AG01BYG0
Chemical Name:
{6,8,8-trimethyl-1-oxaspiro[4.4]nonan-2-yl}methanol
CAS Number:
1880998-18-4
Molecular Formula:
C12H22O2
Molecular Weight:
198.3019
MDL Number:
MFCD30486666
IUPAC Name:
(7,7,9-trimethyl-1-oxaspiro[4.4]nonan-2-yl)methanol
InChI:
InChI=1S/C12H22O2/c1-9-6-11(2,3)8-12(9)5-4-10(7-13)14-12/h9-10,13H,4-8H2,1-3H3
InChI Key:
MTTLGHXHLSCNHB-UHFFFAOYSA-N
SMILES:
OCC1CCC2(O1)CC(CC2C)(C)C
Properties
Complexity:
224
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.162g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
198.306g/mol
Monoisotopic Mass:
198.162g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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