cyclobutane;1,7-dimethylanthracene;1,8-dimethylanthracene;2,6-dimethylanthracene;2,7-dimethylanthracene;1,3-dimethyl-5-[(3-methylphenyl)methyl]benzene;2,6-dimethylnaphthalene;2,7-dimethylnaphthalene;1-(2,4-dimethylphenyl)-2,4-dimethylbenzene;3-(1-hydroperoxyethyl)-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene;3-(1-hydroperoxyethyl)-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene;3-(1-hydroperoxyethyl)-4,4,10,13-tetramethyl-17-(7-methyloct-6-en-2-yl)-1,2,3,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene;1-methyl-3-(4-methylphenoxy)benzene;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-4-(4-methylphenyl)benzene;bis(1-methyl-3-[(3-methylphenyl)methyl]benzene);1-methyl-3-[(4-methylphenyl)methyl]benzene;1,3-xylene;1,4-xylene

C317H392O8 — CID 158195981

IUPACcyclobutane;1,7-dimethylanthracene;1,8-dimethylanthracene;2,6-dimethylanthracene;2,7-dimethylanthracene;1,3-dimethyl-5-[(3-methylphenyl)methyl]benzene;2,6-dimethylnaphthalene;2,7-dimethylnaphthalene;1-(2,4-dimethylphenyl)-2,4-dimethylbenzene;3-(1-hydroperoxyethyl)-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene;3-(1-hydroperoxyethyl)-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene;3-(1-hydroperoxyethyl)-4,4,10,13-tetramethyl-17-(7-methyloct-6-en-2-yl)-1,2,3,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene;1-methyl-3-(4-methylphenoxy)benzene;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-4-(4-methylphenyl)benzene;bis(1-methyl-3-[(3-methylphenyl)methyl]benzene);1-methyl-3-[(4-methylphenyl)methyl]benzene;1,3-xylene;1,4-xylene
SMILESC1CCC1.CC(C)=CCCCC(C)C1CCC2C3CCC4C(C)(C)C(C(C)OO)CCC4(C)C3CCC12C.CC(C)CCCC(C)C1CCC2C3CC=C4CC(C(C)OO)CCC4(C)C3CCC12C.CC(C)CCCC(C)C1CCC2C3CCC4CC(C(C)OO)CCC4(C)C3CCC12C.Cc1ccc(-c2ccc(C)cc2)cc1.Cc1ccc(-c2ccc(C)cc2C)c(C)c1.Cc1ccc(C)cc1.Cc1ccc(Cc2cccc(C)c2)cc1.Cc1ccc(Oc2ccc(C)cc2)cc1.Cc1ccc(Oc2cccc(C)c2)cc1.Cc1ccc2cc(C)ccc2c1.Cc1ccc2cc3cc(C)ccc3cc2c1.Cc1ccc2cc3ccc(C)cc3cc2c1.Cc1ccc2cc3cccc(C)c3cc2c1.Cc1ccc2ccc(C)cc2c1.Cc1cccc(C)c1.Cc1cccc(Cc2cc(C)cc(C)c2)c1.Cc1cccc(Cc2cccc(C)c2)c1.Cc1cccc(Cc2cccc(C)c2)c1.Cc1cccc2cc3cccc(C)c3cc12
InChIInChI=1S/C32H56O2.C29H52O2.C29H50O2.4C16H14.2C16H18.3C15H16.2C14H14O.C14H14.2C12H12.2C8H10.C4H8/c1-21(2)11-9-10-12-22(3)25-14-15-27-24-13-16-29-30(5,6)26(23(4)34-33)17-20-32(29,8)28(24)18-19-31(25,27)7;2*1-19(2)8-7-9-20(3)25-12-13-26-24-11-10-23-18-22(21(4)31-30)14-16-28(23,5)27(24)15-17-29(25,26)6;1-11-3-5-13-10-16-8-12(2)4-6-14(16)9-15(13)7-11;1-11-3-5-13-9-14-6-4-12(2)8-16(14)10-15(13)7-11;1-11-5-3-7-13-9-14-8-4-6-12(2)16(14)10-15(11)13;1-11-6-7-13-9-14-5-3-4-12(2)16(14)10-15(13)8-11;1-11-5-7-15(13(3)9-11)16-8-6-12(2)10-14(16)4;1-12-5-4-6-15(8-12)11-16-9-13(2)7-14(3)10-16;2*1-12-5-3-7-14(9-12)11-15-8-4-6-13(2)10-15;1-12-6-8-14(9-7-12)11-15-5-3-4-13(2)10-15;1-11-3-7-13(8-4-11)15-14-9-5-12(2)6-10-14;1-11-6-8-13(9-7-11)15-14-5-3-4-12(2)10-14;1-11-3-7-13(8-4-11)14-9-5-12(2)6-10-14;1-9-3-5-12-8-10(2)4-6-11(12)7-9;1-9-3-5-11-6-4-10(2)8-12(11)7-9;1-7-3-5-8(2)6-4-7;1-7-4-3-5-8(2)6-7;1-2-4-3-1/h11,22-29,33H,9-10,12-20H2,1-8H3;19-27,30H,7-18H2,1-6H3;10,19-22,24-27,30H,7-9,11-18H2,1-6H3;4*3-10H,1-2H3;5-10H,1-4H3;4-10H,11H2,1-3H3;3*3-10H,11H2,1-2H3;2*3-10H,1-2H3;3-10H,1-2H3;2*3-8H,1-2H3;2*3-6H,1-2H3;1-4H2
InChIKeyGAIPAOIABWJZBI-UHFFFAOYSA-N
MW4330.61 g/mol
LogP90.83
Rot. Bonds35

About cyclobutane;1,7-dimethylanthracene;1,8-dimethylanthracene;2,6-dimethylanthracene;2,7-dimethylanthracene;1,3-dimethyl-5-[(3-methylphenyl)methyl]benzene;2,6-dimethylnaphthalene;2,7-dimethylnaphthalene;1-(2,4-dimethylphenyl)-2,4-dimethylbenzene;3-(1-hydroperoxyethyl)-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene;3-(1-hydroperoxyethyl)-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene;3-(1-hydroperoxyethyl)-4,4,10,13-tetramethyl-17-(7-methyloct-6-en-2-yl)-1,2,3,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene;1-methyl-3-(4-methylphenoxy)benzene;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-4-(4-methylphenyl)benzene;bis(1-methyl-3-[(3-methylphenyl)methyl]benzene);1-methyl-3-[(4-methylphenyl)methyl]benzene;1,3-xylene;1,4-xylene

cyclobutane;1,7-dimethylanthracene;1,8-dimethylanthracene;2,6-dimethylanthracene;2,7-dimethylanthracene;1,3-dimethyl-5-[(3-methylphenyl)methyl]benzene;2,6-dimethylnaphthalene;2,7-dimethylnaphthalene;1-(2,4-dimethylphenyl)-2,4-dimethylbenzene;3-(1-hydroperoxyethyl)-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene;3-(1-hydroperoxyethyl)-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene;3-(1-hydroperoxyethyl)-4,4,10,13-tetramethyl-17-(7-methyloct-6-en-2-yl)-1,2,3,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene;1-methyl-3-(4-methylphenoxy)benzene;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-4-(4-methylphenyl)benzene;bis(1-methyl-3-[(3-methylphenyl)methyl]benzene);1-methyl-3-[(4-methylphenyl)methyl]benzene;1,3-xylene;1,4-xylene (PubChem CID 158195981) has the molecular formula C317H392O8 and a molecular weight of 4330.61 g/mol. Its IUPAC name is cyclobutane;1,7-dimethylanthracene;1,8-dimethylanthracene;2,6-dimethylanthracene;2,7-dimethylanthracene;1,3-dimethyl-5-[(3-methylphenyl)methyl]benzene;2,6-dimethylnaphthalene;2,7-dimethylnaphthalene;1-(2,4-dimethylphenyl)-2,4-dimethylbenzene;3-(1-hydroperoxyethyl)-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene;3-(1-hydroperoxyethyl)-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene;3-(1-hydroperoxyethyl)-4,4,10,13-tetramethyl-17-(7-methyloct-6-en-2-yl)-1,2,3,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene;1-methyl-3-(4-methylphenoxy)benzene;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-4-(4-methylphenyl)benzene;bis(1-methyl-3-[(3-methylphenyl)methyl]benzene);1-methyl-3-[(4-methylphenyl)methyl]benzene;1,3-xylene;1,4-xylene.

Molecular Properties

Compound Namecyclobutane;1,7-dimethylanthracene;1,8-dimethylanthracene;2,6-dimethylanthracene;2,7-dimethylanthracene;1,3-dimethyl-5-[(3-methylphenyl)methyl]benzene;2,6-dimethylnaphthalene;2,7-dimethylnaphthalene;1-(2,4-dimethylphenyl)-2,4-dimethylbenzene;3-(1-hydroperoxyethyl)-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene;3-(1-hydroperoxyethyl)-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene;3-(1-hydroperoxyethyl)-4,4,10,13-tetramethyl-17-(7-methyloct-6-en-2-yl)-1,2,3,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene;1-methyl-3-(4-methylphenoxy)benzene;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-4-(4-methylphenyl)benzene;bis(1-methyl-3-[(3-methylphenyl)methyl]benzene);1-methyl-3-[(4-methylphenyl)methyl]benzene;1,3-xylene;1,4-xylene
PubChem CID158195981
Molecular FormulaC317H392O8
Molecular Weight4330.61 g/mol
Exact Mass4327.03
IUPAC Namecyclobutane;1,7-dimethylanthracene;1,8-dimethylanthracene;2,6-dimethylanthracene;2,7-dimethylanthracene;1,3-dimethyl-5-[(3-methylphenyl)methyl]benzene;2,6-dimethylnaphthalene;2,7-dimethylnaphthalene;1-(2,4-dimethylphenyl)-2,4-dimethylbenzene;3-(1-hydroperoxyethyl)-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene;3-(1-hydroperoxyethyl)-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene;3-(1-hydroperoxyethyl)-4,4,10,13-tetramethyl-17-(7-methyloct-6-en-2-yl)-1,2,3,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene;1-methyl-3-(4-methylphenoxy)benzene;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-4-(4-methylphenyl)benzene;bis(1-methyl-3-[(3-methylphenyl)methyl]benzene);1-methyl-3-[(4-methylphenyl)methyl]benzene;1,3-xylene;1,4-xylene
SMILESC1CCC1.CC(C)=CCCCC(C)C1CCC2C3CCC4C(C)(C)C(C(C)OO)CCC4(C)C3CCC12C.CC(C)CCCC(C)C1CCC2C3CC=C4CC(C(C)OO)CCC4(C)C3CCC12C.CC(C)CCCC(C)C1CCC2C3CCC4CC(C(C)OO)CCC4(C)C3CCC12C.Cc1ccc(-c2ccc(C)cc2)cc1.Cc1ccc(-c2ccc(C)cc2C)c(C)c1.Cc1ccc(C)cc1.Cc1ccc(Cc2cccc(C)c2)cc1.Cc1ccc(Oc2ccc(C)cc2)cc1.Cc1ccc(Oc2cccc(C)c2)cc1.Cc1ccc2cc(C)ccc2c1.Cc1ccc2cc3cc(C)ccc3cc2c1.Cc1ccc2cc3ccc(C)cc3cc2c1.Cc1ccc2cc3cccc(C)c3cc2c1.Cc1ccc2ccc(C)cc2c1.Cc1cccc(C)c1.Cc1cccc(Cc2cc(C)cc(C)c2)c1.Cc1cccc(Cc2cccc(C)c2)c1.Cc1cccc(Cc2cccc(C)c2)c1.Cc1cccc2cc3cccc(C)c3cc12
InChIInChI=1S/C32H56O2.C29H52O2.C29H50O2.4C16H14.2C16H18.3C15H16.2C14H14O.C14H14.2C12H12.2C8H10.C4H8/c1-21(2)11-9-10-12-22(3)25-14-15-27-24-13-16-29-30(5,6)26(23(4)34-33)17-20-32(29,8)28(24)18-19-31(25,27)7;2*1-19(2)8-7-9-20(3)25-12-13-26-24-11-10-23-18-22(21(4)31-30)14-16-28(23,5)27(24)15-17-29(25,26)6;1-11-3-5-13-10-16-8-12(2)4-6-14(16)9-15(13)7-11;1-11-3-5-13-9-14-6-4-12(2)8-16(14)10-15(13)7-11;1-11-5-3-7-13-9-14-8-4-6-12(2)16(14)10-15(11)13;1-11-6-7-13-9-14-5-3-4-12(2)16(14)10-15(13)8-11;1-11-5-7-15(13(3)9-11)16-8-6-12(2)10-14(16)4;1-12-5-4-6-15(8-12)11-16-9-13(2)7-14(3)10-16;2*1-12-5-3-7-14(9-12)11-15-8-4-6-13(2)10-15;1-12-6-8-14(9-7-12)11-15-5-3-4-13(2)10-15;1-11-3-7-13(8-4-11)15-14-9-5-12(2)6-10-14;1-11-6-8-13(9-7-11)15-14-5-3-4-12(2)10-14;1-11-3-7-13(8-4-11)14-9-5-12(2)6-10-14;1-9-3-5-12-8-10(2)4-6-11(12)7-9;1-9-3-5-11-6-4-10(2)8-12(11)7-9;1-7-3-5-8(2)6-4-7;1-7-4-3-5-8(2)6-7;1-2-4-3-1/h11,22-29,33H,9-10,12-20H2,1-8H3;19-27,30H,7-18H2,1-6H3;10,19-22,24-27,30H,7-9,11-18H2,1-6H3;4*3-10H,1-2H3;5-10H,1-4H3;4-10H,11H2,1-3H3;3*3-10H,11H2,1-2H3;2*3-10H,1-2H3;3-10H,1-2H3;2*3-8H,1-2H3;2*3-6H,1-2H3;1-4H2
InChIKeyGAIPAOIABWJZBI-UHFFFAOYSA-N
XLogP90.83
TPSA106.84 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds35
Heavy Atoms325
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5004330.61
LogP ≤ 590.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze cyclobutane;1,7-dimethylanthracene;1,8-dimethylanthracene;2,6-dimethylanthracene;2,7-dimethylanthracene;1,3-dimethyl-5-[(3-methylphenyl)methyl]benzene;2,6-dimethylnaphthalene;2,7-dimethylnaphthalene;1-(2,4-dimethylphenyl)-2,4-dimethylbenzene;3-(1-hydroperoxyethyl)-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene;3-(1-hydroperoxyethyl)-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene;3-(1-hydroperoxyethyl)-4,4,10,13-tetramethyl-17-(7-methyloct-6-en-2-yl)-1,2,3,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene;1-methyl-3-(4-methylphenoxy)benzene;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-4-(4-methylphenyl)benzene;bis(1-methyl-3-[(3-methylphenyl)methyl]benzene);1-methyl-3-[(4-methylphenyl)methyl]benzene;1,3-xylene;1,4-xylene with MolForge

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Related Compounds

1-[4-ethyl-1-[3-(4-methylphenoxy)phenyl]cyclohexyl]-4-(4-methylphenoxy)benzene;3-(1-hydroperoxyethyl)-10,13-dimethyl-17-(5-methylhexan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene;3-(1-hydroperoxyethyl)-4,4,10,13,14-pentamethyl-17-(6-methylhept-5-en-2-yl)-2,3,7,8,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene;3-(1-hydroperoxyethyl)-4,4,10,13,14-pentamethyl-17-(6-methylhept-5-en-2-yl)-2,3,5,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene;3-(1-hydroperoxyethyl)-4,4,10,13-tetramethyl-17-(6-methylheptan-2-yl)-1,2,3,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene;3-[hydroperoxy-(3-methylphenyl)methyl]-10,13-dimethyl-17-(6-methylheptan-2-yl)-6-[(3-methylphenyl)methylperoxy]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene;3-[hydroperoxy-(4-methylphenyl)methyl]-10,13-dimethyl-17-(6-methylheptan-2-yl)-6-[(4-methylphenyl)methylperoxy]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene;3-methoxy-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene;3-methoxy-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene;3-methoxy-4,4,10,13-tetramethyl-17-(6-methylhept-5-en-2-yl)-1,2,3,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene
CID 157077606
5-[[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]-hydroperoxymethyl]benzene-1,3-diamine;2-[[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]benzene-1,4-diamine;2-[[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]benzene-1,4-diamine;2-[[4,4,10,13-tetramethyl-17-(7-methyloct-6-en-2-yl)-1,2,3,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]benzene-1,4-diamine
CID 159000101
10,13-dimethyl-17-(6-methylheptan-2-yl)-3,3-bis[4-(4-methylphenoxy)phenyl]-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene;1-[4-ethyl-1-[3-(4-methylphenoxy)phenyl]cyclohexyl]-4-(4-methylphenoxy)benzene;3-(1-hydroperoxyethyl)-4,4,10,13,14-pentamethyl-17-(6-methylhept-5-en-2-yl)-2,3,7,8,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene;3-[hydroperoxy-(3-methylphenyl)methyl]-10,13-dimethyl-17-(6-methylheptan-2-yl)-6-[(3-methylphenyl)methylperoxy]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene;3-[hydroperoxy-(4-methylphenyl)methyl]-10,13-dimethyl-17-(6-methylheptan-2-yl)-6-[(4-methylphenyl)methylperoxy]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene;methane
CID 161285372
3-(1-hydroperoxyethyl)-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene
CID 58324049
[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] (3-methylphenyl) carbonate
CID 99570432
3-(1-hydroperoxyethyl)-4,4,10,13-tetramethyl-17-(7-methyloct-6-en-2-yl)-1,2,3,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene
CID 58444959
(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-(6-methylheptan-2-yl)-3-propan-2-yl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene
CID 155790537
10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-3-propan-2-yl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene
CID 142411423
cyclohexane;(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
CID 175058500
(3S,10R,13R)-N-cyclohexyl-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-amine
CID 25227590
[(3S,8R,9R,10R,13R,14R,17S)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] (Z)-3-anthracen-9-ylprop-2-enoate
CID 129449483
[(3S,8R,9R,10R,13S,14R,17S)-10,13-dimethyl-17-[(2S)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] (E)-3-anthracen-9-ylprop-2-enoate
CID 124901211

Frequently Asked Questions

What is the IUPAC name of cyclobutane;1,7-dimethylanthracene;1,8-dimethylanthracene;2,6-dimethylanthracene;2,7-dimethylanthracene;1,3-dimethyl-5-[(3-methylphenyl)methyl]benzene;2,6-dimethylnaphthalene;2,7-dimethylnaphthalene;1-(2,4-dimethylphenyl)-2,4-dimethylbenzene;3-(1-hydroperoxyethyl)-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene;3-(1-hydroperoxyethyl)-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene;3-(1-hydroperoxyethyl)-4,4,10,13-tetramethyl-17-(7-methyloct-6-en-2-yl)-1,2,3,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene;1-methyl-3-(4-methylphenoxy)benzene;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-4-(4-methylphenyl)benzene;bis(1-methyl-3-[(3-methylphenyl)methyl]benzene);1-methyl-3-[(4-methylphenyl)methyl]benzene;1,3-xylene;1,4-xylene?
The IUPAC name of cyclobutane;1,7-dimethylanthracene;1,8-dimethylanthracene;2,6-dimethylanthracene;2,7-dimethylanthracene;1,3-dimethyl-5-[(3-methylphenyl)methyl]benzene;2,6-dimethylnaphthalene;2,7-dimethylnaphthalene;1-(2,4-dimethylphenyl)-2,4-dimethylbenzene;3-(1-hydroperoxyethyl)-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene;3-(1-hydroperoxyethyl)-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene;3-(1-hydroperoxyethyl)-4,4,10,13-tetramethyl-17-(7-methyloct-6-en-2-yl)-1,2,3,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene;1-methyl-3-(4-methylphenoxy)benzene;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-4-(4-methylphenyl)benzene;bis(1-methyl-3-[(3-methylphenyl)methyl]benzene);1-methyl-3-[(4-methylphenyl)methyl]benzene;1,3-xylene;1,4-xylene (CID 158195981) is cyclobutane;1,7-dimethylanthracene;1,8-dimethylanthracene;2,6-dimethylanthracene;2,7-dimethylanthracene;1,3-dimethyl-5-[(3-methylphenyl)methyl]benzene;2,6-dimethylnaphthalene;2,7-dimethylnaphthalene;1-(2,4-dimethylphenyl)-2,4-dimethylbenzene;3-(1-hydroperoxyethyl)-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene;3-(1-hydroperoxyethyl)-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene;3-(1-hydroperoxyethyl)-4,4,10,13-tetramethyl-17-(7-methyloct-6-en-2-yl)-1,2,3,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene;1-methyl-3-(4-methylphenoxy)benzene;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-4-(4-methylphenyl)benzene;bis(1-methyl-3-[(3-methylphenyl)methyl]benzene);1-methyl-3-[(4-methylphenyl)methyl]benzene;1,3-xylene;1,4-xylene.
What is the SMILES notation for cyclobutane;1,7-dimethylanthracene;1,8-dimethylanthracene;2,6-dimethylanthracene;2,7-dimethylanthracene;1,3-dimethyl-5-[(3-methylphenyl)methyl]benzene;2,6-dimethylnaphthalene;2,7-dimethylnaphthalene;1-(2,4-dimethylphenyl)-2,4-dimethylbenzene;3-(1-hydroperoxyethyl)-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene;3-(1-hydroperoxyethyl)-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene;3-(1-hydroperoxyethyl)-4,4,10,13-tetramethyl-17-(7-methyloct-6-en-2-yl)-1,2,3,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene;1-methyl-3-(4-methylphenoxy)benzene;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-4-(4-methylphenyl)benzene;bis(1-methyl-3-[(3-methylphenyl)methyl]benzene);1-methyl-3-[(4-methylphenyl)methyl]benzene;1,3-xylene;1,4-xylene?
The canonical SMILES for cyclobutane;1,7-dimethylanthracene;1,8-dimethylanthracene;2,6-dimethylanthracene;2,7-dimethylanthracene;1,3-dimethyl-5-[(3-methylphenyl)methyl]benzene;2,6-dimethylnaphthalene;2,7-dimethylnaphthalene;1-(2,4-dimethylphenyl)-2,4-dimethylbenzene;3-(1-hydroperoxyethyl)-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene;3-(1-hydroperoxyethyl)-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene;3-(1-hydroperoxyethyl)-4,4,10,13-tetramethyl-17-(7-methyloct-6-en-2-yl)-1,2,3,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene;1-methyl-3-(4-methylphenoxy)benzene;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-4-(4-methylphenyl)benzene;bis(1-methyl-3-[(3-methylphenyl)methyl]benzene);1-methyl-3-[(4-methylphenyl)methyl]benzene;1,3-xylene;1,4-xylene is C1CCC1.CC(C)=CCCCC(C)C1CCC2C3CCC4C(C)(C)C(C(C)OO)CCC4(C)C3CCC12C.CC(C)CCCC(C)C1CCC2C3CC=C4CC(C(C)OO)CCC4(C)C3CCC12C.CC(C)CCCC(C)C1CCC2C3CCC4CC(C(C)OO)CCC4(C)C3CCC12C.Cc1ccc(-c2ccc(C)cc2)cc1.Cc1ccc(-c2ccc(C)cc2C)c(C)c1.Cc1ccc(C)cc1.Cc1ccc(Cc2cccc(C)c2)cc1.Cc1ccc(Oc2ccc(C)cc2)cc1.Cc1ccc(Oc2cccc(C)c2)cc1.Cc1ccc2cc(C)ccc2c1.Cc1ccc2cc3cc(C)ccc3cc2c1.Cc1ccc2cc3ccc(C)cc3cc2c1.Cc1ccc2cc3cccc(C)c3cc2c1.Cc1ccc2ccc(C)cc2c1.Cc1cccc(C)c1.Cc1cccc(Cc2cc(C)cc(C)c2)c1.Cc1cccc(Cc2cccc(C)c2)c1.Cc1cccc(Cc2cccc(C)c2)c1.Cc1cccc2cc3cccc(C)c3cc12.
What is the InChIKey of cyclobutane;1,7-dimethylanthracene;1,8-dimethylanthracene;2,6-dimethylanthracene;2,7-dimethylanthracene;1,3-dimethyl-5-[(3-methylphenyl)methyl]benzene;2,6-dimethylnaphthalene;2,7-dimethylnaphthalene;1-(2,4-dimethylphenyl)-2,4-dimethylbenzene;3-(1-hydroperoxyethyl)-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene;3-(1-hydroperoxyethyl)-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene;3-(1-hydroperoxyethyl)-4,4,10,13-tetramethyl-17-(7-methyloct-6-en-2-yl)-1,2,3,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene;1-methyl-3-(4-methylphenoxy)benzene;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-4-(4-methylphenyl)benzene;bis(1-methyl-3-[(3-methylphenyl)methyl]benzene);1-methyl-3-[(4-methylphenyl)methyl]benzene;1,3-xylene;1,4-xylene?
The InChIKey is GAIPAOIABWJZBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H56O2.C29H52O2.C29H50O2.4C16H14.2C16H18.3C15H16.2C14H14O.C14H14.2C12H12.2C8H10.C4H8/c1-21(2)11-9-10-12-22(3)25-14-15-27-24-13-16-29-30(5,6)26(23(4)34-33)17-20-32(29,8)28(24)18-19-31(25,27)7;2*1-19(2)8-7-9-20(3)25-12-13-26-24-11-10-23-18-22(21(4)31-30)14-16-28(23,5)27(24)15-17-29(25,26)6;1-11-3-5-13-10-16-8-12(2)4-6-14(16)9-15(13)7-11;1-11-3-5-13-9-14-6-4-12(2)8-16(14)10-15(13)7-11;1-11-5-3-7-13-9-14-8-4-6-12(2)16(14)10-15(11)13;1-11-6-7-13-9-14-5-3-4-12(2)16(14)10-15(13)8-11;1-11-5-7-15(13(3)9-11)16-8-6-12(2)10-14(16)4;1-12-5-4-6-15(8-12)11-16-9-13(2)7-14(3)10-16;2*1-12-5-3-7-14(9-12)11-15-8-4-6-13(2)10-15;1-12-6-8-14(9-7-12)11-15-5-3-4-13(2)10-15;1-11-3-7-13(8-4-11)15-14-9-5-12(2)6-10-14;1-11-6-8-13(9-7-11)15-14-5-3-4-12(2)10-14;1-11-3-7-13(8-4-11)14-9-5-12(2)6-10-14;1-9-3-5-12-8-10(2)4-6-11(12)7-9;1-9-3-5-11-6-4-10(2)8-12(11)7-9;1-7-3-5-8(2)6-4-7;1-7-4-3-5-8(2)6-7;1-2-4-3-1/h11,22-29,33H,9-10,12-20H2,1-8H3;19-27,30H,7-18H2,1-6H3;10,19-22,24-27,30H,7-9,11-18H2,1-6H3;4*3-10H,1-2H3;5-10H,1-4H3;4-10H,11H2,1-3H3;3*3-10H,11H2,1-2H3;2*3-10H,1-2H3;3-10H,1-2H3;2*3-8H,1-2H3;2*3-6H,1-2H3;1-4H2.
What are the key properties of cyclobutane;1,7-dimethylanthracene;1,8-dimethylanthracene;2,6-dimethylanthracene;2,7-dimethylanthracene;1,3-dimethyl-5-[(3-methylphenyl)methyl]benzene;2,6-dimethylnaphthalene;2,7-dimethylnaphthalene;1-(2,4-dimethylphenyl)-2,4-dimethylbenzene;3-(1-hydroperoxyethyl)-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene;3-(1-hydroperoxyethyl)-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene;3-(1-hydroperoxyethyl)-4,4,10,13-tetramethyl-17-(7-methyloct-6-en-2-yl)-1,2,3,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene;1-methyl-3-(4-methylphenoxy)benzene;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-4-(4-methylphenyl)benzene;bis(1-methyl-3-[(3-methylphenyl)methyl]benzene);1-methyl-3-[(4-methylphenyl)methyl]benzene;1,3-xylene;1,4-xylene?
cyclobutane;1,7-dimethylanthracene;1,8-dimethylanthracene;2,6-dimethylanthracene;2,7-dimethylanthracene;1,3-dimethyl-5-[(3-methylphenyl)methyl]benzene;2,6-dimethylnaphthalene;2,7-dimethylnaphthalene;1-(2,4-dimethylphenyl)-2,4-dimethylbenzene;3-(1-hydroperoxyethyl)-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene;3-(1-hydroperoxyethyl)-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene;3-(1-hydroperoxyethyl)-4,4,10,13-tetramethyl-17-(7-methyloct-6-en-2-yl)-1,2,3,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene;1-methyl-3-(4-methylphenoxy)benzene;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-4-(4-methylphenyl)benzene;bis(1-methyl-3-[(3-methylphenyl)methyl]benzene);1-methyl-3-[(4-methylphenyl)methyl]benzene;1,3-xylene;1,4-xylene has a molecular weight of 4330.61 g/mol, XLogP of 90.83, 35 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutane;1,7-dimethylanthracene;1,8-dimethylanthracene;2,6-dimethylanthracene;2,7-dimethylanthracene;1,3-dimethyl-5-[(3-methylphenyl)methyl]benzene;2,6-dimethylnaphthalene;2,7-dimethylnaphthalene;1-(2,4-dimethylphenyl)-2,4-dimethylbenzene;3-(1-hydroperoxyethyl)-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene;3-(1-hydroperoxyethyl)-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene;3-(1-hydroperoxyethyl)-4,4,10,13-tetramethyl-17-(7-methyloct-6-en-2-yl)-1,2,3,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene;1-methyl-3-(4-methylphenoxy)benzene;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-4-(4-methylphenyl)benzene;bis(1-methyl-3-[(3-methylphenyl)methyl]benzene);1-methyl-3-[(4-methylphenyl)methyl]benzene;1,3-xylene;1,4-xylene is sourced from PubChem (CID 158195981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).