About 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
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 (PubChem CID 161285372) has the molecular formula C206H290O14
and a molecular weight of 2990.57 g/mol. Its IUPAC name is 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.
Frequently Asked Questions
What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C.CC(C)=CCCC(C)C1CCC2(C)C3CC=C4C(C)(C)C(C(C)OO)CCC4(C)C3CCC12C.CCC1CCC(c2ccc(Oc3ccc(C)cc3)cc2)(c2cccc(Oc3ccc(C)cc3)c2)CC1.Cc1ccc(COOC2CC3C4CCC(C(C)CCCC(C)C)C4(C)CCC3C3(C)CCC(C(OO)c4ccc(C)cc4)CC23)cc1.Cc1ccc(Oc2ccc(C3(c4ccc(Oc5ccc(C)cc5)cc4)CCC4(C)C(CCC5C4CCC4(C)C(C(C)CCCC(C)C)CCC54)C3)cc2)cc1.Cc1cccc(COOC2CC3C4CCC(C(C)CCCC(C)C)C4(C)CCC3C3(C)CCC(C(OO)c4cccc(C)c4)CC23)c1.
What is the InChIKey of 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?
The InChIKey is VFQIQJZDBWVLNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H68O2.2C43H64O4.C34H36O2.C32H54O2.CH4/c1-36(2)9-8-10-39(5)48-29-30-49-47-28-19-42-35-53(34-33-51(42,6)50(47)31-32-52(48,49)7,40-15-24-45(25-16-40)54-43-20-11-37(3)12-21-43)41-17-26-46(27-18-41)55-44-22-13-38(4)14-23-44;1-28(2)11-8-14-31(5)36-17-18-37-35-26-40(47-45-27-32-15-9-12-29(3)23-32)39-25-34(41(46-44)33-16-10-13-30(4)24-33)19-21-43(39,7)38(35)20-22-42(36,37)6;1-28(2)9-8-10-31(5)36-19-20-37-35-26-40(47-45-27-32-15-11-29(3)12-16-32)39-25-34(41(46-44)33-17-13-30(4)14-18-33)21-23-43(39,7)38(35)22-24-42(36,37)6;1-4-27-20-22-34(23-21-27,28-12-18-32(19-13-28)35-30-14-8-25(2)9-15-30)29-6-5-7-33(24-29)36-31-16-10-26(3)11-17-31;1-21(2)11-10-12-22(3)24-16-19-32(9)27-13-14-28-29(5,6)25(23(4)34-33)15-18-30(28,7)26(27)17-20-31(24,32)8;/h11-18,20-27,36,39,42,47-50H,8-10,19,28-35H2,1-7H3;9-10,12-13,15-16,23-24,28,31,34-41,44H,8,11,14,17-22,25-27H2,1-7H3;11-18,28,31,34-41,44H,8-10,19-27H2,1-7H3;5-19,24,27H,4,20-23H2,1-3H3;11,14,22-27,33H,10,12-13,15-20H2,1-9H3;1H4.
What are the key properties of 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?
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 has a molecular weight of 2990.57 g/mol, XLogP of 58.57, 48 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 161285372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).