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Home > Other Heterocycles > 88849-65-4
88849-65-4 | 3,9-diethylidene-2,4,8,10-tetraoxaspiro[5.5]undecane; hexane-1,6-diol; [4-(hydroxymethyl)cyclohexyl]methanol
CAS No: 88849-65-4 Catalog No: AG004BKT MDL No:
Product Description
Catalog Number:
AG004BKT
Chemical Name:
3,9-diethylidene-2,4,8,10-tetraoxaspiro[5.5]undecane; hexane-1,6-diol; [4-(hydroxymethyl)cyclohexyl]methanol
CAS Number:
88849-65-4
Molecular Formula:
C25H46O8
Molecular Weight:
474.6279
IUPAC Name:
3,9-di(ethylidene)-2,4,8,10-tetraoxaspiro[5.5]undecane;hexane-1,6-diol;[4-(hydroxymethyl)cyclohexyl]methanol
InChI:
InChI=1S/C11H16O4.C8H16O2.C6H14O2/c1-3-9-12-5-11(6-13-9)7-14-10(4-2)15-8-11;9-5-7-1-2-8(6-10)4-3-7;7-5-3-1-2-4-6-8/h3-4H,5-8H2,1-2H3;7-10H,1-6H2;7-8H,1-6H2
InChI Key:
KNNBHAJTRUNRJN-UHFFFAOYSA-N
SMILES:
CC=C1OCC2(CO1)COC(=CC)OC2.OCC1CCC(CC1)CO.OCCCCCCO
Properties
Complexity:
344
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
474.319g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
474.635g/mol
Monoisotopic Mass:
474.319g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
118A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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