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Home > Other Heterocycles > 70556-68-2
70556-68-2 | Spiro[5.5]undecan-3-one, 10-hydroxy-7,7,11-trimethyl-, cis-
CAS No: 70556-68-2 Catalog No: AG005I1G MDL No:
Product Description
Catalog Number:
AG005I1G
Chemical Name:
Spiro[5.5]undecan-3-one, 10-hydroxy-7,7,11-trimethyl-, cis-
CAS Number:
70556-68-2
Molecular Formula:
C14H24O2
Molecular Weight:
224.3392
IUPAC Name:
(1S,2R)-2-hydroxy-1,5,5-trimethylspiro[5.5]undecan-9-one
InChI:
InChI=1S/C14H24O2/c1-10-12(16)6-7-13(2,3)14(10)8-4-11(15)5-9-14/h10,12,16H,4-9H2,1-3H3/t10-,12-/m1/s1
InChI Key:
VVDIOPJDNMORMM-ZYHUDNBSSA-N
SMILES:
O=C1CCC2(CC1)[C@H](C)[C@H](O)CCC2(C)C
Properties
Complexity:
283
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
224.178g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
224.344g/mol
Monoisotopic Mass:
224.178g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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