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Home > Other Heterocycles > 109890-37-1
109890-37-1 | 1-Oxaspiro[2.4]heptane-4,5-diol,7-[(1S,4R)-4-hydroxy-1,4-dimethyl-2-cyclohexen-1-yl]-7-methyl-, (3S,4R,5R,7R)-
CAS No: 109890-37-1 Catalog No: AG007EIB MDL No:
Product Description
Catalog Number:
AG007EIB
Chemical Name:
1-Oxaspiro[2.4]heptane-4,5-diol,7-[(1S,4R)-4-hydroxy-1,4-dimethyl-2-cyclohexen-1-yl]-7-methyl-, (3S,4R,5R,7R)-
CAS Number:
109890-37-1
Molecular Formula:
C15H24O4
Molecular Weight:
268.3487
IUPAC Name:
(7R)-4-[(1S)-4-hydroxy-1,4-dimethylcyclohex-2-en-1-yl]-4-methyl-1-oxaspiro[2.4]heptane-6,7-diol
InChI:
InChI=1S/C15H24O4/c1-12(4-6-13(2,18)7-5-12)14(3)8-10(16)11(17)15(14)9-19-15/h4,6,10-11,16-18H,5,7-9H2,1-3H3/t10?,11-,12-,13?,14?,15?/m1/s1
InChI Key:
FPANWDWGPATUTH-ULMRJCCDSA-N
SMILES:
OC1CC(C2([C@@H]1O)OC2)(C)[C@@]1(C)CCC(C=C1)(C)O
Properties
Complexity:
436
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
268.167g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
268.353g/mol
Monoisotopic Mass:
268.167g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
73.2A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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