adamantan-2-one;bicyclo[2.2.1]heptan-2-one;cyclohexanone;1,3-dioxane;bis(6,10-dioxaspiro[4.5]decane);7,12-dioxaspiro[5.6]dodecane;1,4-dioxaspiro[4.4]nonane;7,13-dioxaspiro[5.7]tridecane;1,5-dioxaspiro[5.5]undecane;4,8-dioxatricyclo[4.2.1.03,7]nonan-5-one;1,3-dioxepane;1,3-dioxocane;1,3-dioxolane;2-oxabicyclo[2.2.1]heptan-3-one;6-oxabicyclo[3.2.1]octane;6-oxabicyclo[3.2.1]octan-7-one;oxane;oxan-2-one;4-oxatricyclo[4.2.1.03,7]nonane;4-oxatricyclo[4.2.1.03,7]nonan-5-one;4-oxatricyclo[4.3.1.13,8]undecane-5,9-dione;oxepane;oxepan-2-one;oxetane;oxolane;oxolan-2-one;spiro[1,3-dioxane-2,2'-adamantane];spiro[1,3-dioxane-2,2'-bicyclo[2.2.1]heptane];spiro[1,3-dioxepane-2,2'-adamantane];spiro[1,3-dioxepane-2,2'-bicyclo[2.2.1]heptane];spiro[1,3-dioxocane-2,2'-adamantane];spiro[1,3-dioxocane-2,2'-bicyclo[2.2.1]heptane];spiro[1,3-dioxolane-2,2'-adamantane];spiro[1,3-dioxolane-2,2'-bicyclo[2.2.1]heptane]

C276H448O63 — CID 159396098

IUPACadamantan-2-one;bicyclo[2.2.1]heptan-2-one;cyclohexanone;1,3-dioxane;bis(6,10-dioxaspiro[4.5]decane);7,12-dioxaspiro[5.6]dodecane;1,4-dioxaspiro[4.4]nonane;7,13-dioxaspiro[5.7]tridecane;1,5-dioxaspiro[5.5]undecane;4,8-dioxatricyclo[4.2.1.03,7]nonan-5-one;1,3-dioxepane;1,3-dioxocane;1,3-dioxolane;2-oxabicyclo[2.2.1]heptan-3-one;6-oxabicyclo[3.2.1]octane;6-oxabicyclo[3.2.1]octan-7-one;oxane;oxan-2-one;4-oxatricyclo[4.2.1.03,7]nonane;4-oxatricyclo[4.2.1.03,7]nonan-5-one;4-oxatricyclo[4.3.1.13,8]undecane-5,9-dione;oxepane;oxepan-2-one;oxetane;oxolane;oxolan-2-one;spiro[1,3-dioxane-2,2'-adamantane];spiro[1,3-dioxane-2,2'-bicyclo[2.2.1]heptane];spiro[1,3-dioxepane-2,2'-adamantane];spiro[1,3-dioxepane-2,2'-bicyclo[2.2.1]heptane];spiro[1,3-dioxocane-2,2'-adamantane];spiro[1,3-dioxocane-2,2'-bicyclo[2.2.1]heptane];spiro[1,3-dioxolane-2,2'-adamantane];spiro[1,3-dioxolane-2,2'-bicyclo[2.2.1]heptane]
SMILESC1CC2COC(C1)C2.C1CCC2(C1)OCCO2.C1CCC2(CC1)OCCCCO2.C1CCC2(CC1)OCCCO2.C1CCCOCC1.C1CCOC1.C1CCOC2(CC3CCC2C3)OC1.C1CCOC2(CC3CCC2C3)OCC1.C1CCOC2(CCCCC2)OCC1.C1CCOC2(OC1)C1CC3CC(C1)CC2C3.C1CCOC2(OCC1)C1CC3CC(C1)CC2C3.C1CCOCC1.C1CCOCOC1.C1CCOCOCC1.C1COC1.C1COC2(CC3CCC2C3)O1.C1COC2(CC3CCC2C3)OC1.C1COC2(CCCC2)OC1.C1COC2(CCCC2)OC1.C1COC2(O1)C1CC3CC(C1)CC2C3.C1COC2(OC1)C1CC3CC(C1)CC2C3.C1COCO1.C1COCOC1.C1OC2CC3CC1C2C3.O=C1C2CC3CC(C2)CC1C3.O=C1CC2CCC1C2.O=C1CCCCC1.O=C1CCCCCO1.O=C1CCCCO1.O=C1CCCO1.O=C1OC2CC3CC1C2C3.O=C1OC2CC3CC1C2O3.O=C1OC2CC3CC1CC(C2)C3=O.O=C1OC2CCC1C2.O=C1OC2CCCC1C2
InChIInChI=1S/C15H24O2.C14H22O2.C13H20O2.C12H18O2.C12H20O2.C11H18O2.C11H20O2.C10H12O3.C10H16O2.C10H18O2.C10H14O.C9H14O2.C9H16O2.C8H10O2.2C8H14O2.C8H12O.C7H8O3.C7H10O2.C7H12O2.C7H10O.C7H12O.C6H8O2.C6H12O2.C6H10O2.C6H12O.C6H10O.C5H10O2.C5H8O2.C5H10O.C4H8O2.C4H6O2.C4H8O.C3H6O2.C3H6O/c1-2-4-16-15(17-5-3-1)13-7-11-6-12(9-13)10-14(15)8-11;1-2-4-16-14(15-3-1)12-6-10-5-11(8-12)9-13(14)7-10;1-2-14-13(15-3-1)11-5-9-4-10(7-11)8-12(13)6-9;1-2-14-12(13-1)10-4-8-3-9(6-10)7-11(12)5-8;1-2-6-13-12(14-7-3-1)9-10-4-5-11(12)8-10;1-2-6-13-11(12-5-1)8-9-3-4-10(11)7-9;1-3-7-11(8-4-1)12-9-5-2-6-10-13-11;11-9-5-1-7-2-6(9)4-8(3-5)13-10(7)12;1-4-11-10(12-5-1)7-8-2-3-9(10)6-8;1-2-6-10(7-3-1)11-8-4-5-9-12-10;11-10-8-2-6-1-7(4-8)5-9(10)3-6;1-2-8-5-7(1)6-9(8)10-3-4-11-9;1-2-5-9(6-3-1)10-7-4-8-11-9;9-8-6-2-4-1-5(6)7(3-4)10-8;2*1-2-5-8(4-1)9-6-3-7-10-8;1-5-2-7-6(1)4-9-8(7)3-5;8-7-4-1-3-2-5(10-7)6(4)9-3;8-7-5-2-1-3-6(4-5)9-7;1-2-4-7(3-1)8-5-6-9-7;8-7-4-5-1-2-6(7)3-5;1-2-6-4-7(3-1)8-5-6;7-6-4-1-2-5(3-4)8-6;1-2-4-7-6-8-5-3-1;7-6-4-2-1-3-5-8-6;1-2-4-6-7-5-3-1;7-6-4-2-1-3-5-6;1-2-4-7-5-6-3-1;6-5-3-1-2-4-7-5;1-2-4-6-5-3-1;1-2-5-4-6-3-1;5-4-2-1-3-6-4;1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-3-1/h11-14H,1-10H2;10-13H,1-9H2;9-12H,1-8H2;8-11H,1-7H2;10-11H,1-9H2;9-10H,1-8H2;1-10H2;5-8H,1-4H2;8-9H,1-7H2;1-9H2;6-9H,1-5H2;7-8H,1-6H2;1-8H2;4-7H,1-3H2;2*1-7H2;5-8H,1-4H2;3-6H,1-2H2;5-6H,1-4H2;1-6H2;5-6H,1-4H2;6-7H,1-5H2;4-5H,1-3H2;1-6H2;1-5H2;1-6H2;2*1-5H2;1-4H2;1-5H2;1-4H2;1-3H2;1-4H2;1-3H2;1-3H2
InChIKeyLMSSRYKUYQFTOJ-UHFFFAOYSA-N
MW4774.56 g/mol
LogP51.84
Rot. Bonds

About adamantan-2-one;bicyclo[2.2.1]heptan-2-one;cyclohexanone;1,3-dioxane;bis(6,10-dioxaspiro[4.5]decane);7,12-dioxaspiro[5.6]dodecane;1,4-dioxaspiro[4.4]nonane;7,13-dioxaspiro[5.7]tridecane;1,5-dioxaspiro[5.5]undecane;4,8-dioxatricyclo[4.2.1.03,7]nonan-5-one;1,3-dioxepane;1,3-dioxocane;1,3-dioxolane;2-oxabicyclo[2.2.1]heptan-3-one;6-oxabicyclo[3.2.1]octane;6-oxabicyclo[3.2.1]octan-7-one;oxane;oxan-2-one;4-oxatricyclo[4.2.1.03,7]nonane;4-oxatricyclo[4.2.1.03,7]nonan-5-one;4-oxatricyclo[4.3.1.13,8]undecane-5,9-dione;oxepane;oxepan-2-one;oxetane;oxolane;oxolan-2-one;spiro[1,3-dioxane-2,2'-adamantane];spiro[1,3-dioxane-2,2'-bicyclo[2.2.1]heptane];spiro[1,3-dioxepane-2,2'-adamantane];spiro[1,3-dioxepane-2,2'-bicyclo[2.2.1]heptane];spiro[1,3-dioxocane-2,2'-adamantane];spiro[1,3-dioxocane-2,2'-bicyclo[2.2.1]heptane];spiro[1,3-dioxolane-2,2'-adamantane];spiro[1,3-dioxolane-2,2'-bicyclo[2.2.1]heptane]

adamantan-2-one;bicyclo[2.2.1]heptan-2-one;cyclohexanone;1,3-dioxane;bis(6,10-dioxaspiro[4.5]decane);7,12-dioxaspiro[5.6]dodecane;1,4-dioxaspiro[4.4]nonane;7,13-dioxaspiro[5.7]tridecane;1,5-dioxaspiro[5.5]undecane;4,8-dioxatricyclo[4.2.1.03,7]nonan-5-one;1,3-dioxepane;1,3-dioxocane;1,3-dioxolane;2-oxabicyclo[2.2.1]heptan-3-one;6-oxabicyclo[3.2.1]octane;6-oxabicyclo[3.2.1]octan-7-one;oxane;oxan-2-one;4-oxatricyclo[4.2.1.03,7]nonane;4-oxatricyclo[4.2.1.03,7]nonan-5-one;4-oxatricyclo[4.3.1.13,8]undecane-5,9-dione;oxepane;oxepan-2-one;oxetane;oxolane;oxolan-2-one;spiro[1,3-dioxane-2,2'-adamantane];spiro[1,3-dioxane-2,2'-bicyclo[2.2.1]heptane];spiro[1,3-dioxepane-2,2'-adamantane];spiro[1,3-dioxepane-2,2'-bicyclo[2.2.1]heptane];spiro[1,3-dioxocane-2,2'-adamantane];spiro[1,3-dioxocane-2,2'-bicyclo[2.2.1]heptane];spiro[1,3-dioxolane-2,2'-adamantane];spiro[1,3-dioxolane-2,2'-bicyclo[2.2.1]heptane] (PubChem CID 159396098) has the molecular formula C276H448O63 and a molecular weight of 4774.56 g/mol. Its IUPAC name is adamantan-2-one;bicyclo[2.2.1]heptan-2-one;cyclohexanone;1,3-dioxane;bis(6,10-dioxaspiro[4.5]decane);7,12-dioxaspiro[5.6]dodecane;1,4-dioxaspiro[4.4]nonane;7,13-dioxaspiro[5.7]tridecane;1,5-dioxaspiro[5.5]undecane;4,8-dioxatricyclo[4.2.1.03,7]nonan-5-one;1,3-dioxepane;1,3-dioxocane;1,3-dioxolane;2-oxabicyclo[2.2.1]heptan-3-one;6-oxabicyclo[3.2.1]octane;6-oxabicyclo[3.2.1]octan-7-one;oxane;oxan-2-one;4-oxatricyclo[4.2.1.03,7]nonane;4-oxatricyclo[4.2.1.03,7]nonan-5-one;4-oxatricyclo[4.3.1.13,8]undecane-5,9-dione;oxepane;oxepan-2-one;oxetane;oxolane;oxolan-2-one;spiro[1,3-dioxane-2,2'-adamantane];spiro[1,3-dioxane-2,2'-bicyclo[2.2.1]heptane];spiro[1,3-dioxepane-2,2'-adamantane];spiro[1,3-dioxepane-2,2'-bicyclo[2.2.1]heptane];spiro[1,3-dioxocane-2,2'-adamantane];spiro[1,3-dioxocane-2,2'-bicyclo[2.2.1]heptane];spiro[1,3-dioxolane-2,2'-adamantane];spiro[1,3-dioxolane-2,2'-bicyclo[2.2.1]heptane].

Molecular Properties

Compound Nameadamantan-2-one;bicyclo[2.2.1]heptan-2-one;cyclohexanone;1,3-dioxane;bis(6,10-dioxaspiro[4.5]decane);7,12-dioxaspiro[5.6]dodecane;1,4-dioxaspiro[4.4]nonane;7,13-dioxaspiro[5.7]tridecane;1,5-dioxaspiro[5.5]undecane;4,8-dioxatricyclo[4.2.1.03,7]nonan-5-one;1,3-dioxepane;1,3-dioxocane;1,3-dioxolane;2-oxabicyclo[2.2.1]heptan-3-one;6-oxabicyclo[3.2.1]octane;6-oxabicyclo[3.2.1]octan-7-one;oxane;oxan-2-one;4-oxatricyclo[4.2.1.03,7]nonane;4-oxatricyclo[4.2.1.03,7]nonan-5-one;4-oxatricyclo[4.3.1.13,8]undecane-5,9-dione;oxepane;oxepan-2-one;oxetane;oxolane;oxolan-2-one;spiro[1,3-dioxane-2,2'-adamantane];spiro[1,3-dioxane-2,2'-bicyclo[2.2.1]heptane];spiro[1,3-dioxepane-2,2'-adamantane];spiro[1,3-dioxepane-2,2'-bicyclo[2.2.1]heptane];spiro[1,3-dioxocane-2,2'-adamantane];spiro[1,3-dioxocane-2,2'-bicyclo[2.2.1]heptane];spiro[1,3-dioxolane-2,2'-adamantane];spiro[1,3-dioxolane-2,2'-bicyclo[2.2.1]heptane]
PubChem CID159396098
Molecular FormulaC276H448O63
Molecular Weight4774.56 g/mol
Exact Mass4771.19
IUPAC Nameadamantan-2-one;bicyclo[2.2.1]heptan-2-one;cyclohexanone;1,3-dioxane;bis(6,10-dioxaspiro[4.5]decane);7,12-dioxaspiro[5.6]dodecane;1,4-dioxaspiro[4.4]nonane;7,13-dioxaspiro[5.7]tridecane;1,5-dioxaspiro[5.5]undecane;4,8-dioxatricyclo[4.2.1.03,7]nonan-5-one;1,3-dioxepane;1,3-dioxocane;1,3-dioxolane;2-oxabicyclo[2.2.1]heptan-3-one;6-oxabicyclo[3.2.1]octane;6-oxabicyclo[3.2.1]octan-7-one;oxane;oxan-2-one;4-oxatricyclo[4.2.1.03,7]nonane;4-oxatricyclo[4.2.1.03,7]nonan-5-one;4-oxatricyclo[4.3.1.13,8]undecane-5,9-dione;oxepane;oxepan-2-one;oxetane;oxolane;oxolan-2-one;spiro[1,3-dioxane-2,2'-adamantane];spiro[1,3-dioxane-2,2'-bicyclo[2.2.1]heptane];spiro[1,3-dioxepane-2,2'-adamantane];spiro[1,3-dioxepane-2,2'-bicyclo[2.2.1]heptane];spiro[1,3-dioxocane-2,2'-adamantane];spiro[1,3-dioxocane-2,2'-bicyclo[2.2.1]heptane];spiro[1,3-dioxolane-2,2'-adamantane];spiro[1,3-dioxolane-2,2'-bicyclo[2.2.1]heptane]
SMILESC1CC2COC(C1)C2.C1CCC2(C1)OCCO2.C1CCC2(CC1)OCCCCO2.C1CCC2(CC1)OCCCO2.C1CCCOCC1.C1CCOC1.C1CCOC2(CC3CCC2C3)OC1.C1CCOC2(CC3CCC2C3)OCC1.C1CCOC2(CCCCC2)OCC1.C1CCOC2(OC1)C1CC3CC(C1)CC2C3.C1CCOC2(OCC1)C1CC3CC(C1)CC2C3.C1CCOCC1.C1CCOCOC1.C1CCOCOCC1.C1COC1.C1COC2(CC3CCC2C3)O1.C1COC2(CC3CCC2C3)OC1.C1COC2(CCCC2)OC1.C1COC2(CCCC2)OC1.C1COC2(O1)C1CC3CC(C1)CC2C3.C1COC2(OC1)C1CC3CC(C1)CC2C3.C1COCO1.C1COCOC1.C1OC2CC3CC1C2C3.O=C1C2CC3CC(C2)CC1C3.O=C1CC2CCC1C2.O=C1CCCCC1.O=C1CCCCCO1.O=C1CCCCO1.O=C1CCCO1.O=C1OC2CC3CC1C2C3.O=C1OC2CC3CC1C2O3.O=C1OC2CC3CC1CC(C2)C3=O.O=C1OC2CCC1C2.O=C1OC2CCCC1C2
InChIInChI=1S/C15H24O2.C14H22O2.C13H20O2.C12H18O2.C12H20O2.C11H18O2.C11H20O2.C10H12O3.C10H16O2.C10H18O2.C10H14O.C9H14O2.C9H16O2.C8H10O2.2C8H14O2.C8H12O.C7H8O3.C7H10O2.C7H12O2.C7H10O.C7H12O.C6H8O2.C6H12O2.C6H10O2.C6H12O.C6H10O.C5H10O2.C5H8O2.C5H10O.C4H8O2.C4H6O2.C4H8O.C3H6O2.C3H6O/c1-2-4-16-15(17-5-3-1)13-7-11-6-12(9-13)10-14(15)8-11;1-2-4-16-14(15-3-1)12-6-10-5-11(8-12)9-13(14)7-10;1-2-14-13(15-3-1)11-5-9-4-10(7-11)8-12(13)6-9;1-2-14-12(13-1)10-4-8-3-9(6-10)7-11(12)5-8;1-2-6-13-12(14-7-3-1)9-10-4-5-11(12)8-10;1-2-6-13-11(12-5-1)8-9-3-4-10(11)7-9;1-3-7-11(8-4-1)12-9-5-2-6-10-13-11;11-9-5-1-7-2-6(9)4-8(3-5)13-10(7)12;1-4-11-10(12-5-1)7-8-2-3-9(10)6-8;1-2-6-10(7-3-1)11-8-4-5-9-12-10;11-10-8-2-6-1-7(4-8)5-9(10)3-6;1-2-8-5-7(1)6-9(8)10-3-4-11-9;1-2-5-9(6-3-1)10-7-4-8-11-9;9-8-6-2-4-1-5(6)7(3-4)10-8;2*1-2-5-8(4-1)9-6-3-7-10-8;1-5-2-7-6(1)4-9-8(7)3-5;8-7-4-1-3-2-5(10-7)6(4)9-3;8-7-5-2-1-3-6(4-5)9-7;1-2-4-7(3-1)8-5-6-9-7;8-7-4-5-1-2-6(7)3-5;1-2-6-4-7(3-1)8-5-6;7-6-4-1-2-5(3-4)8-6;1-2-4-7-6-8-5-3-1;7-6-4-2-1-3-5-8-6;1-2-4-6-7-5-3-1;7-6-4-2-1-3-5-6;1-2-4-7-5-6-3-1;6-5-3-1-2-4-7-5;1-2-4-6-5-3-1;1-2-5-4-6-3-1;5-4-2-1-3-6-4;1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-3-1/h11-14H,1-10H2;10-13H,1-9H2;9-12H,1-8H2;8-11H,1-7H2;10-11H,1-9H2;9-10H,1-8H2;1-10H2;5-8H,1-4H2;8-9H,1-7H2;1-9H2;6-9H,1-5H2;7-8H,1-6H2;1-8H2;4-7H,1-3H2;2*1-7H2;5-8H,1-4H2;3-6H,1-2H2;5-6H,1-4H2;1-6H2;5-6H,1-4H2;6-7H,1-5H2;4-5H,1-3H2;1-6H2;1-5H2;1-6H2;2*1-5H2;1-4H2;1-5H2;1-4H2;1-3H2;1-4H2;1-3H2;1-3H2
InChIKeyLMSSRYKUYQFTOJ-UHFFFAOYSA-N
XLogP51.84
TPSA675.57 Ų
H-Bond Donors
H-Bond Acceptors63
Rotatable Bonds
Heavy Atoms339
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004774.56
LogP ≤ 551.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1063

Analyze adamantan-2-one;bicyclo[2.2.1]heptan-2-one;cyclohexanone;1,3-dioxane;bis(6,10-dioxaspiro[4.5]decane);7,12-dioxaspiro[5.6]dodecane;1,4-dioxaspiro[4.4]nonane;7,13-dioxaspiro[5.7]tridecane;1,5-dioxaspiro[5.5]undecane;4,8-dioxatricyclo[4.2.1.03,7]nonan-5-one;1,3-dioxepane;1,3-dioxocane;1,3-dioxolane;2-oxabicyclo[2.2.1]heptan-3-one;6-oxabicyclo[3.2.1]octane;6-oxabicyclo[3.2.1]octan-7-one;oxane;oxan-2-one;4-oxatricyclo[4.2.1.03,7]nonane;4-oxatricyclo[4.2.1.03,7]nonan-5-one;4-oxatricyclo[4.3.1.13,8]undecane-5,9-dione;oxepane;oxepan-2-one;oxetane;oxolane;oxolan-2-one;spiro[1,3-dioxane-2,2'-adamantane];spiro[1,3-dioxane-2,2'-bicyclo[2.2.1]heptane];spiro[1,3-dioxepane-2,2'-adamantane];spiro[1,3-dioxepane-2,2'-bicyclo[2.2.1]heptane];spiro[1,3-dioxocane-2,2'-adamantane];spiro[1,3-dioxocane-2,2'-bicyclo[2.2.1]heptane];spiro[1,3-dioxolane-2,2'-adamantane];spiro[1,3-dioxolane-2,2'-bicyclo[2.2.1]heptane] with MolForge

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Frequently Asked Questions

What is the IUPAC name of adamantan-2-one;bicyclo[2.2.1]heptan-2-one;cyclohexanone;1,3-dioxane;bis(6,10-dioxaspiro[4.5]decane);7,12-dioxaspiro[5.6]dodecane;1,4-dioxaspiro[4.4]nonane;7,13-dioxaspiro[5.7]tridecane;1,5-dioxaspiro[5.5]undecane;4,8-dioxatricyclo[4.2.1.03,7]nonan-5-one;1,3-dioxepane;1,3-dioxocane;1,3-dioxolane;2-oxabicyclo[2.2.1]heptan-3-one;6-oxabicyclo[3.2.1]octane;6-oxabicyclo[3.2.1]octan-7-one;oxane;oxan-2-one;4-oxatricyclo[4.2.1.03,7]nonane;4-oxatricyclo[4.2.1.03,7]nonan-5-one;4-oxatricyclo[4.3.1.13,8]undecane-5,9-dione;oxepane;oxepan-2-one;oxetane;oxolane;oxolan-2-one;spiro[1,3-dioxane-2,2'-adamantane];spiro[1,3-dioxane-2,2'-bicyclo[2.2.1]heptane];spiro[1,3-dioxepane-2,2'-adamantane];spiro[1,3-dioxepane-2,2'-bicyclo[2.2.1]heptane];spiro[1,3-dioxocane-2,2'-adamantane];spiro[1,3-dioxocane-2,2'-bicyclo[2.2.1]heptane];spiro[1,3-dioxolane-2,2'-adamantane];spiro[1,3-dioxolane-2,2'-bicyclo[2.2.1]heptane]?
The IUPAC name of adamantan-2-one;bicyclo[2.2.1]heptan-2-one;cyclohexanone;1,3-dioxane;bis(6,10-dioxaspiro[4.5]decane);7,12-dioxaspiro[5.6]dodecane;1,4-dioxaspiro[4.4]nonane;7,13-dioxaspiro[5.7]tridecane;1,5-dioxaspiro[5.5]undecane;4,8-dioxatricyclo[4.2.1.03,7]nonan-5-one;1,3-dioxepane;1,3-dioxocane;1,3-dioxolane;2-oxabicyclo[2.2.1]heptan-3-one;6-oxabicyclo[3.2.1]octane;6-oxabicyclo[3.2.1]octan-7-one;oxane;oxan-2-one;4-oxatricyclo[4.2.1.03,7]nonane;4-oxatricyclo[4.2.1.03,7]nonan-5-one;4-oxatricyclo[4.3.1.13,8]undecane-5,9-dione;oxepane;oxepan-2-one;oxetane;oxolane;oxolan-2-one;spiro[1,3-dioxane-2,2'-adamantane];spiro[1,3-dioxane-2,2'-bicyclo[2.2.1]heptane];spiro[1,3-dioxepane-2,2'-adamantane];spiro[1,3-dioxepane-2,2'-bicyclo[2.2.1]heptane];spiro[1,3-dioxocane-2,2'-adamantane];spiro[1,3-dioxocane-2,2'-bicyclo[2.2.1]heptane];spiro[1,3-dioxolane-2,2'-adamantane];spiro[1,3-dioxolane-2,2'-bicyclo[2.2.1]heptane] (CID 159396098) is adamantan-2-one;bicyclo[2.2.1]heptan-2-one;cyclohexanone;1,3-dioxane;bis(6,10-dioxaspiro[4.5]decane);7,12-dioxaspiro[5.6]dodecane;1,4-dioxaspiro[4.4]nonane;7,13-dioxaspiro[5.7]tridecane;1,5-dioxaspiro[5.5]undecane;4,8-dioxatricyclo[4.2.1.03,7]nonan-5-one;1,3-dioxepane;1,3-dioxocane;1,3-dioxolane;2-oxabicyclo[2.2.1]heptan-3-one;6-oxabicyclo[3.2.1]octane;6-oxabicyclo[3.2.1]octan-7-one;oxane;oxan-2-one;4-oxatricyclo[4.2.1.03,7]nonane;4-oxatricyclo[4.2.1.03,7]nonan-5-one;4-oxatricyclo[4.3.1.13,8]undecane-5,9-dione;oxepane;oxepan-2-one;oxetane;oxolane;oxolan-2-one;spiro[1,3-dioxane-2,2'-adamantane];spiro[1,3-dioxane-2,2'-bicyclo[2.2.1]heptane];spiro[1,3-dioxepane-2,2'-adamantane];spiro[1,3-dioxepane-2,2'-bicyclo[2.2.1]heptane];spiro[1,3-dioxocane-2,2'-adamantane];spiro[1,3-dioxocane-2,2'-bicyclo[2.2.1]heptane];spiro[1,3-dioxolane-2,2'-adamantane];spiro[1,3-dioxolane-2,2'-bicyclo[2.2.1]heptane].
What is the SMILES notation for adamantan-2-one;bicyclo[2.2.1]heptan-2-one;cyclohexanone;1,3-dioxane;bis(6,10-dioxaspiro[4.5]decane);7,12-dioxaspiro[5.6]dodecane;1,4-dioxaspiro[4.4]nonane;7,13-dioxaspiro[5.7]tridecane;1,5-dioxaspiro[5.5]undecane;4,8-dioxatricyclo[4.2.1.03,7]nonan-5-one;1,3-dioxepane;1,3-dioxocane;1,3-dioxolane;2-oxabicyclo[2.2.1]heptan-3-one;6-oxabicyclo[3.2.1]octane;6-oxabicyclo[3.2.1]octan-7-one;oxane;oxan-2-one;4-oxatricyclo[4.2.1.03,7]nonane;4-oxatricyclo[4.2.1.03,7]nonan-5-one;4-oxatricyclo[4.3.1.13,8]undecane-5,9-dione;oxepane;oxepan-2-one;oxetane;oxolane;oxolan-2-one;spiro[1,3-dioxane-2,2'-adamantane];spiro[1,3-dioxane-2,2'-bicyclo[2.2.1]heptane];spiro[1,3-dioxepane-2,2'-adamantane];spiro[1,3-dioxepane-2,2'-bicyclo[2.2.1]heptane];spiro[1,3-dioxocane-2,2'-adamantane];spiro[1,3-dioxocane-2,2'-bicyclo[2.2.1]heptane];spiro[1,3-dioxolane-2,2'-adamantane];spiro[1,3-dioxolane-2,2'-bicyclo[2.2.1]heptane]?
The canonical SMILES for adamantan-2-one;bicyclo[2.2.1]heptan-2-one;cyclohexanone;1,3-dioxane;bis(6,10-dioxaspiro[4.5]decane);7,12-dioxaspiro[5.6]dodecane;1,4-dioxaspiro[4.4]nonane;7,13-dioxaspiro[5.7]tridecane;1,5-dioxaspiro[5.5]undecane;4,8-dioxatricyclo[4.2.1.03,7]nonan-5-one;1,3-dioxepane;1,3-dioxocane;1,3-dioxolane;2-oxabicyclo[2.2.1]heptan-3-one;6-oxabicyclo[3.2.1]octane;6-oxabicyclo[3.2.1]octan-7-one;oxane;oxan-2-one;4-oxatricyclo[4.2.1.03,7]nonane;4-oxatricyclo[4.2.1.03,7]nonan-5-one;4-oxatricyclo[4.3.1.13,8]undecane-5,9-dione;oxepane;oxepan-2-one;oxetane;oxolane;oxolan-2-one;spiro[1,3-dioxane-2,2'-adamantane];spiro[1,3-dioxane-2,2'-bicyclo[2.2.1]heptane];spiro[1,3-dioxepane-2,2'-adamantane];spiro[1,3-dioxepane-2,2'-bicyclo[2.2.1]heptane];spiro[1,3-dioxocane-2,2'-adamantane];spiro[1,3-dioxocane-2,2'-bicyclo[2.2.1]heptane];spiro[1,3-dioxolane-2,2'-adamantane];spiro[1,3-dioxolane-2,2'-bicyclo[2.2.1]heptane] is C1CC2COC(C1)C2.C1CCC2(C1)OCCO2.C1CCC2(CC1)OCCCCO2.C1CCC2(CC1)OCCCO2.C1CCCOCC1.C1CCOC1.C1CCOC2(CC3CCC2C3)OC1.C1CCOC2(CC3CCC2C3)OCC1.C1CCOC2(CCCCC2)OCC1.C1CCOC2(OC1)C1CC3CC(C1)CC2C3.C1CCOC2(OCC1)C1CC3CC(C1)CC2C3.C1CCOCC1.C1CCOCOC1.C1CCOCOCC1.C1COC1.C1COC2(CC3CCC2C3)O1.C1COC2(CC3CCC2C3)OC1.C1COC2(CCCC2)OC1.C1COC2(CCCC2)OC1.C1COC2(O1)C1CC3CC(C1)CC2C3.C1COC2(OC1)C1CC3CC(C1)CC2C3.C1COCO1.C1COCOC1.C1OC2CC3CC1C2C3.O=C1C2CC3CC(C2)CC1C3.O=C1CC2CCC1C2.O=C1CCCCC1.O=C1CCCCCO1.O=C1CCCCO1.O=C1CCCO1.O=C1OC2CC3CC1C2C3.O=C1OC2CC3CC1C2O3.O=C1OC2CC3CC1CC(C2)C3=O.O=C1OC2CCC1C2.O=C1OC2CCCC1C2.
What is the InChIKey of adamantan-2-one;bicyclo[2.2.1]heptan-2-one;cyclohexanone;1,3-dioxane;bis(6,10-dioxaspiro[4.5]decane);7,12-dioxaspiro[5.6]dodecane;1,4-dioxaspiro[4.4]nonane;7,13-dioxaspiro[5.7]tridecane;1,5-dioxaspiro[5.5]undecane;4,8-dioxatricyclo[4.2.1.03,7]nonan-5-one;1,3-dioxepane;1,3-dioxocane;1,3-dioxolane;2-oxabicyclo[2.2.1]heptan-3-one;6-oxabicyclo[3.2.1]octane;6-oxabicyclo[3.2.1]octan-7-one;oxane;oxan-2-one;4-oxatricyclo[4.2.1.03,7]nonane;4-oxatricyclo[4.2.1.03,7]nonan-5-one;4-oxatricyclo[4.3.1.13,8]undecane-5,9-dione;oxepane;oxepan-2-one;oxetane;oxolane;oxolan-2-one;spiro[1,3-dioxane-2,2'-adamantane];spiro[1,3-dioxane-2,2'-bicyclo[2.2.1]heptane];spiro[1,3-dioxepane-2,2'-adamantane];spiro[1,3-dioxepane-2,2'-bicyclo[2.2.1]heptane];spiro[1,3-dioxocane-2,2'-adamantane];spiro[1,3-dioxocane-2,2'-bicyclo[2.2.1]heptane];spiro[1,3-dioxolane-2,2'-adamantane];spiro[1,3-dioxolane-2,2'-bicyclo[2.2.1]heptane]?
The InChIKey is LMSSRYKUYQFTOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2.C14H22O2.C13H20O2.C12H18O2.C12H20O2.C11H18O2.C11H20O2.C10H12O3.C10H16O2.C10H18O2.C10H14O.C9H14O2.C9H16O2.C8H10O2.2C8H14O2.C8H12O.C7H8O3.C7H10O2.C7H12O2.C7H10O.C7H12O.C6H8O2.C6H12O2.C6H10O2.C6H12O.C6H10O.C5H10O2.C5H8O2.C5H10O.C4H8O2.C4H6O2.C4H8O.C3H6O2.C3H6O/c1-2-4-16-15(17-5-3-1)13-7-11-6-12(9-13)10-14(15)8-11;1-2-4-16-14(15-3-1)12-6-10-5-11(8-12)9-13(14)7-10;1-2-14-13(15-3-1)11-5-9-4-10(7-11)8-12(13)6-9;1-2-14-12(13-1)10-4-8-3-9(6-10)7-11(12)5-8;1-2-6-13-12(14-7-3-1)9-10-4-5-11(12)8-10;1-2-6-13-11(12-5-1)8-9-3-4-10(11)7-9;1-3-7-11(8-4-1)12-9-5-2-6-10-13-11;11-9-5-1-7-2-6(9)4-8(3-5)13-10(7)12;1-4-11-10(12-5-1)7-8-2-3-9(10)6-8;1-2-6-10(7-3-1)11-8-4-5-9-12-10;11-10-8-2-6-1-7(4-8)5-9(10)3-6;1-2-8-5-7(1)6-9(8)10-3-4-11-9;1-2-5-9(6-3-1)10-7-4-8-11-9;9-8-6-2-4-1-5(6)7(3-4)10-8;2*1-2-5-8(4-1)9-6-3-7-10-8;1-5-2-7-6(1)4-9-8(7)3-5;8-7-4-1-3-2-5(10-7)6(4)9-3;8-7-5-2-1-3-6(4-5)9-7;1-2-4-7(3-1)8-5-6-9-7;8-7-4-5-1-2-6(7)3-5;1-2-6-4-7(3-1)8-5-6;7-6-4-1-2-5(3-4)8-6;1-2-4-7-6-8-5-3-1;7-6-4-2-1-3-5-8-6;1-2-4-6-7-5-3-1;7-6-4-2-1-3-5-6;1-2-4-7-5-6-3-1;6-5-3-1-2-4-7-5;1-2-4-6-5-3-1;1-2-5-4-6-3-1;5-4-2-1-3-6-4;1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-3-1/h11-14H,1-10H2;10-13H,1-9H2;9-12H,1-8H2;8-11H,1-7H2;10-11H,1-9H2;9-10H,1-8H2;1-10H2;5-8H,1-4H2;8-9H,1-7H2;1-9H2;6-9H,1-5H2;7-8H,1-6H2;1-8H2;4-7H,1-3H2;2*1-7H2;5-8H,1-4H2;3-6H,1-2H2;5-6H,1-4H2;1-6H2;5-6H,1-4H2;6-7H,1-5H2;4-5H,1-3H2;1-6H2;1-5H2;1-6H2;2*1-5H2;1-4H2;1-5H2;1-4H2;1-3H2;1-4H2;1-3H2;1-3H2.
What are the key properties of adamantan-2-one;bicyclo[2.2.1]heptan-2-one;cyclohexanone;1,3-dioxane;bis(6,10-dioxaspiro[4.5]decane);7,12-dioxaspiro[5.6]dodecane;1,4-dioxaspiro[4.4]nonane;7,13-dioxaspiro[5.7]tridecane;1,5-dioxaspiro[5.5]undecane;4,8-dioxatricyclo[4.2.1.03,7]nonan-5-one;1,3-dioxepane;1,3-dioxocane;1,3-dioxolane;2-oxabicyclo[2.2.1]heptan-3-one;6-oxabicyclo[3.2.1]octane;6-oxabicyclo[3.2.1]octan-7-one;oxane;oxan-2-one;4-oxatricyclo[4.2.1.03,7]nonane;4-oxatricyclo[4.2.1.03,7]nonan-5-one;4-oxatricyclo[4.3.1.13,8]undecane-5,9-dione;oxepane;oxepan-2-one;oxetane;oxolane;oxolan-2-one;spiro[1,3-dioxane-2,2'-adamantane];spiro[1,3-dioxane-2,2'-bicyclo[2.2.1]heptane];spiro[1,3-dioxepane-2,2'-adamantane];spiro[1,3-dioxepane-2,2'-bicyclo[2.2.1]heptane];spiro[1,3-dioxocane-2,2'-adamantane];spiro[1,3-dioxocane-2,2'-bicyclo[2.2.1]heptane];spiro[1,3-dioxolane-2,2'-adamantane];spiro[1,3-dioxolane-2,2'-bicyclo[2.2.1]heptane]?
adamantan-2-one;bicyclo[2.2.1]heptan-2-one;cyclohexanone;1,3-dioxane;bis(6,10-dioxaspiro[4.5]decane);7,12-dioxaspiro[5.6]dodecane;1,4-dioxaspiro[4.4]nonane;7,13-dioxaspiro[5.7]tridecane;1,5-dioxaspiro[5.5]undecane;4,8-dioxatricyclo[4.2.1.03,7]nonan-5-one;1,3-dioxepane;1,3-dioxocane;1,3-dioxolane;2-oxabicyclo[2.2.1]heptan-3-one;6-oxabicyclo[3.2.1]octane;6-oxabicyclo[3.2.1]octan-7-one;oxane;oxan-2-one;4-oxatricyclo[4.2.1.03,7]nonane;4-oxatricyclo[4.2.1.03,7]nonan-5-one;4-oxatricyclo[4.3.1.13,8]undecane-5,9-dione;oxepane;oxepan-2-one;oxetane;oxolane;oxolan-2-one;spiro[1,3-dioxane-2,2'-adamantane];spiro[1,3-dioxane-2,2'-bicyclo[2.2.1]heptane];spiro[1,3-dioxepane-2,2'-adamantane];spiro[1,3-dioxepane-2,2'-bicyclo[2.2.1]heptane];spiro[1,3-dioxocane-2,2'-adamantane];spiro[1,3-dioxocane-2,2'-bicyclo[2.2.1]heptane];spiro[1,3-dioxolane-2,2'-adamantane];spiro[1,3-dioxolane-2,2'-bicyclo[2.2.1]heptane] has a molecular weight of 4774.56 g/mol, XLogP of 51.84, 0 rotatable bonds, 0 hydrogen bond donors, and 63 hydrogen bond acceptors.
Where does this data come from?
All data for adamantan-2-one;bicyclo[2.2.1]heptan-2-one;cyclohexanone;1,3-dioxane;bis(6,10-dioxaspiro[4.5]decane);7,12-dioxaspiro[5.6]dodecane;1,4-dioxaspiro[4.4]nonane;7,13-dioxaspiro[5.7]tridecane;1,5-dioxaspiro[5.5]undecane;4,8-dioxatricyclo[4.2.1.03,7]nonan-5-one;1,3-dioxepane;1,3-dioxocane;1,3-dioxolane;2-oxabicyclo[2.2.1]heptan-3-one;6-oxabicyclo[3.2.1]octane;6-oxabicyclo[3.2.1]octan-7-one;oxane;oxan-2-one;4-oxatricyclo[4.2.1.03,7]nonane;4-oxatricyclo[4.2.1.03,7]nonan-5-one;4-oxatricyclo[4.3.1.13,8]undecane-5,9-dione;oxepane;oxepan-2-one;oxetane;oxolane;oxolan-2-one;spiro[1,3-dioxane-2,2'-adamantane];spiro[1,3-dioxane-2,2'-bicyclo[2.2.1]heptane];spiro[1,3-dioxepane-2,2'-adamantane];spiro[1,3-dioxepane-2,2'-bicyclo[2.2.1]heptane];spiro[1,3-dioxocane-2,2'-adamantane];spiro[1,3-dioxocane-2,2'-bicyclo[2.2.1]heptane];spiro[1,3-dioxolane-2,2'-adamantane];spiro[1,3-dioxolane-2,2'-bicyclo[2.2.1]heptane] is sourced from PubChem (CID 159396098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).