(6S)-6-[(4E,7aR)-4-[2-[(5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2,10-dimethyl-2,10-bis(trimethylsilyloxy)undecan-3-one;(6S)-6-[(4E,7aR)-4-[(2Z)-2-[(3S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2,10-dimethyl-2,10-bis(trimethylsilyloxy)undecan-3-one;(7aR)-1-[(6S)-2,10-dimethyl-3-oxo-2,10-bis(trimethylsilyloxy)undecan-6-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-one;tert-butyl-[(1R)-3-[tert-butyl(dimethyl)silyl]oxy-5-(2-diphenylphosphorylethylidene)cyclohexyl]oxy-dimethylsilane;tert-butyl-[(1S,3Z)-5-[tert-butyl(dimethyl)silyl]oxy-3-(2-diphenylphosphorylethylidene)-2-methylidenecyclohexyl]oxy-dimethylsilane

C193H350O20P2Si14 — CID 159618522

IUPAC(6S)-6-[(4E,7aR)-4-[2-[(5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2,10-dimethyl-2,10-bis(trimethylsilyloxy)undecan-3-one;(6S)-6-[(4E,7aR)-4-[(2Z)-2-[(3S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2,10-dimethyl-2,10-bis(trimethylsilyloxy)undecan-3-one;(7aR)-1-[(6S)-2,10-dimethyl-3-oxo-2,10-bis(trimethylsilyloxy)undecan-6-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-one;tert-butyl-[(1R)-3-[tert-butyl(dimethyl)silyl]oxy-5-(2-diphenylphosphorylethylidene)cyclohexyl]oxy-dimethylsilane;tert-butyl-[(1S,3Z)-5-[tert-butyl(dimethyl)silyl]oxy-3-(2-diphenylphosphorylethylidene)-2-methylidenecyclohexyl]oxy-dimethylsilane
SMILESC=C1/C(=C\C=C2/CCC[C@@]3(C)C2CCC3[C@@H](CCCC(C)(C)O[Si](C)(C)C)CCC(=O)C(C)(C)O[Si](C)(C)C)CC(O[Si](C)(C)C(C)(C)C)C[C@@H]1O[Si](C)(C)C(C)(C)C.C=C1/C(=C\CP(=O)(c2ccccc2)c2ccccc2)CC(O[Si](C)(C)C(C)(C)C)C[C@@H]1O[Si](C)(C)C(C)(C)C.CC(C)(C)[Si](C)(C)OC1C/C(=C/CP(=O)(c2ccccc2)c2ccccc2)C[C@@H](O[Si](C)(C)C(C)(C)C)C1.CC(C)(CCC[C@@H](CCC(=O)C(C)(C)O[Si](C)(C)C)C1CCC2/C(=C/C=C3/CC(O[Si](C)(C)C(C)(C)C)C[C@H](O[Si](C)(C)C(C)(C)C)C3)CCC[C@@]21C)O[Si](C)(C)C.CC(C)(CCC[C@@H](CCC(=O)C(C)(C)O[Si](C)(C)C)C1CCC2C(=O)CCC[C@@]21C)O[Si](C)(C)C
InChIInChI=1S/C50H96O5Si4.C49H96O5Si4.C33H51O3PSi2.C32H51O3PSi2.C29H56O4Si2/c1-37-40(35-41(52-58(19,20)46(2,3)4)36-44(37)53-59(21,22)47(5,6)7)28-27-38-26-24-34-50(12)42(38)30-31-43(50)39(25-23-33-48(8,9)54-56(13,14)15)29-32-45(51)49(10,11)55-57(16,17)18;1-45(2,3)57(18,19)51-40-34-37(35-41(36-40)52-58(20,21)46(4,5)6)26-27-38-25-23-33-49(11)42(38)29-30-43(49)39(24-22-32-47(7,8)53-55(12,13)14)28-31-44(50)48(9,10)54-56(15,16)17;1-26-27(22-23-37(34,29-18-14-12-15-19-29)30-20-16-13-17-21-30)24-28(35-38(8,9)32(2,3)4)25-31(26)36-39(10,11)33(5,6)7;1-31(2,3)37(7,8)34-27-23-26(24-28(25-27)35-38(9,10)32(4,5)6)21-22-36(33,29-17-13-11-14-18-29)30-19-15-12-16-20-30;1-27(2,32-34(6,7)8)20-12-14-22(16-19-26(31)28(3,4)33-35(9,10)11)23-17-18-24-25(30)15-13-21-29(23,24)5/h27-28,39,41-44H,1,23-26,29-36H2,2-22H3;26-27,39-43H,22-25,28-36H2,1-21H3;12-22,28,31H,1,23-25H2,2-11H3;11-21,27-28H,22-25H2,1-10H3;22-24H,12-21H2,1-11H3/b38-27+,40-28-;37-26-,38-27+;27-22-;26-21-;/t39-,41?,42?,43?,44-,50-;39-,40?,41+,42?,43?,49-;28?,31-;27?,28-;22-,23?,24?,29+/m00010/s1
InChIKeyMNPCJHYIEFMYPL-CKMJTMKRSA-N
MW3446.05 g/mol
LogP57.12
Rot. Bonds65

About (6S)-6-[(4E,7aR)-4-[2-[(5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2,10-dimethyl-2,10-bis(trimethylsilyloxy)undecan-3-one;(6S)-6-[(4E,7aR)-4-[(2Z)-2-[(3S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2,10-dimethyl-2,10-bis(trimethylsilyloxy)undecan-3-one;(7aR)-1-[(6S)-2,10-dimethyl-3-oxo-2,10-bis(trimethylsilyloxy)undecan-6-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-one;tert-butyl-[(1R)-3-[tert-butyl(dimethyl)silyl]oxy-5-(2-diphenylphosphorylethylidene)cyclohexyl]oxy-dimethylsilane;tert-butyl-[(1S,3Z)-5-[tert-butyl(dimethyl)silyl]oxy-3-(2-diphenylphosphorylethylidene)-2-methylidenecyclohexyl]oxy-dimethylsilane

(6S)-6-[(4E,7aR)-4-[2-[(5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2,10-dimethyl-2,10-bis(trimethylsilyloxy)undecan-3-one;(6S)-6-[(4E,7aR)-4-[(2Z)-2-[(3S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2,10-dimethyl-2,10-bis(trimethylsilyloxy)undecan-3-one;(7aR)-1-[(6S)-2,10-dimethyl-3-oxo-2,10-bis(trimethylsilyloxy)undecan-6-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-one;tert-butyl-[(1R)-3-[tert-butyl(dimethyl)silyl]oxy-5-(2-diphenylphosphorylethylidene)cyclohexyl]oxy-dimethylsilane;tert-butyl-[(1S,3Z)-5-[tert-butyl(dimethyl)silyl]oxy-3-(2-diphenylphosphorylethylidene)-2-methylidenecyclohexyl]oxy-dimethylsilane (PubChem CID 159618522) has the molecular formula C193H350O20P2Si14 and a molecular weight of 3446.05 g/mol. Its IUPAC name is (6S)-6-[(4E,7aR)-4-[2-[(5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2,10-dimethyl-2,10-bis(trimethylsilyloxy)undecan-3-one;(6S)-6-[(4E,7aR)-4-[(2Z)-2-[(3S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2,10-dimethyl-2,10-bis(trimethylsilyloxy)undecan-3-one;(7aR)-1-[(6S)-2,10-dimethyl-3-oxo-2,10-bis(trimethylsilyloxy)undecan-6-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-one;tert-butyl-[(1R)-3-[tert-butyl(dimethyl)silyl]oxy-5-(2-diphenylphosphorylethylidene)cyclohexyl]oxy-dimethylsilane;tert-butyl-[(1S,3Z)-5-[tert-butyl(dimethyl)silyl]oxy-3-(2-diphenylphosphorylethylidene)-2-methylidenecyclohexyl]oxy-dimethylsilane.

Molecular Properties

Compound Name(6S)-6-[(4E,7aR)-4-[2-[(5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2,10-dimethyl-2,10-bis(trimethylsilyloxy)undecan-3-one;(6S)-6-[(4E,7aR)-4-[(2Z)-2-[(3S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2,10-dimethyl-2,10-bis(trimethylsilyloxy)undecan-3-one;(7aR)-1-[(6S)-2,10-dimethyl-3-oxo-2,10-bis(trimethylsilyloxy)undecan-6-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-one;tert-butyl-[(1R)-3-[tert-butyl(dimethyl)silyl]oxy-5-(2-diphenylphosphorylethylidene)cyclohexyl]oxy-dimethylsilane;tert-butyl-[(1S,3Z)-5-[tert-butyl(dimethyl)silyl]oxy-3-(2-diphenylphosphorylethylidene)-2-methylidenecyclohexyl]oxy-dimethylsilane
PubChem CID159618522
Molecular FormulaC193H350O20P2Si14
Molecular Weight3446.05 g/mol
Exact Mass3442.26
IUPAC Name(6S)-6-[(4E,7aR)-4-[2-[(5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2,10-dimethyl-2,10-bis(trimethylsilyloxy)undecan-3-one;(6S)-6-[(4E,7aR)-4-[(2Z)-2-[(3S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2,10-dimethyl-2,10-bis(trimethylsilyloxy)undecan-3-one;(7aR)-1-[(6S)-2,10-dimethyl-3-oxo-2,10-bis(trimethylsilyloxy)undecan-6-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-one;tert-butyl-[(1R)-3-[tert-butyl(dimethyl)silyl]oxy-5-(2-diphenylphosphorylethylidene)cyclohexyl]oxy-dimethylsilane;tert-butyl-[(1S,3Z)-5-[tert-butyl(dimethyl)silyl]oxy-3-(2-diphenylphosphorylethylidene)-2-methylidenecyclohexyl]oxy-dimethylsilane
SMILESC=C1/C(=C\C=C2/CCC[C@@]3(C)C2CCC3[C@@H](CCCC(C)(C)O[Si](C)(C)C)CCC(=O)C(C)(C)O[Si](C)(C)C)CC(O[Si](C)(C)C(C)(C)C)C[C@@H]1O[Si](C)(C)C(C)(C)C.C=C1/C(=C\CP(=O)(c2ccccc2)c2ccccc2)CC(O[Si](C)(C)C(C)(C)C)C[C@@H]1O[Si](C)(C)C(C)(C)C.CC(C)(C)[Si](C)(C)OC1C/C(=C/CP(=O)(c2ccccc2)c2ccccc2)C[C@@H](O[Si](C)(C)C(C)(C)C)C1.CC(C)(CCC[C@@H](CCC(=O)C(C)(C)O[Si](C)(C)C)C1CCC2/C(=C/C=C3/CC(O[Si](C)(C)C(C)(C)C)C[C@H](O[Si](C)(C)C(C)(C)C)C3)CCC[C@@]21C)O[Si](C)(C)C.CC(C)(CCC[C@@H](CCC(=O)C(C)(C)O[Si](C)(C)C)C1CCC2C(=O)CCC[C@@]21C)O[Si](C)(C)C
InChIInChI=1S/C50H96O5Si4.C49H96O5Si4.C33H51O3PSi2.C32H51O3PSi2.C29H56O4Si2/c1-37-40(35-41(52-58(19,20)46(2,3)4)36-44(37)53-59(21,22)47(5,6)7)28-27-38-26-24-34-50(12)42(38)30-31-43(50)39(25-23-33-48(8,9)54-56(13,14)15)29-32-45(51)49(10,11)55-57(16,17)18;1-45(2,3)57(18,19)51-40-34-37(35-41(36-40)52-58(20,21)46(4,5)6)26-27-38-25-23-33-49(11)42(38)29-30-43(49)39(24-22-32-47(7,8)53-55(12,13)14)28-31-44(50)48(9,10)54-56(15,16)17;1-26-27(22-23-37(34,29-18-14-12-15-19-29)30-20-16-13-17-21-30)24-28(35-38(8,9)32(2,3)4)25-31(26)36-39(10,11)33(5,6)7;1-31(2,3)37(7,8)34-27-23-26(24-28(25-27)35-38(9,10)32(4,5)6)21-22-36(33,29-17-13-11-14-18-29)30-19-15-12-16-20-30;1-27(2,32-34(6,7)8)20-12-14-22(16-19-26(31)28(3,4)33-35(9,10)11)23-17-18-24-25(30)15-13-21-29(23,24)5/h27-28,39,41-44H,1,23-26,29-36H2,2-22H3;26-27,39-43H,22-25,28-36H2,1-21H3;12-22,28,31H,1,23-25H2,2-11H3;11-21,27-28H,22-25H2,1-10H3;22-24H,12-21H2,1-11H3/b38-27+,40-28-;37-26-,38-27+;27-22-;26-21-;/t39-,41?,42?,43?,44-,50-;39-,40?,41+,42?,43?,49-;28?,31-;27?,28-;22-,23?,24?,29+/m00010/s1
InChIKeyMNPCJHYIEFMYPL-CKMJTMKRSA-N
XLogP57.12
TPSA231.64 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds65
Heavy Atoms229
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003446.05
LogP ≤ 557.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Analyze (6S)-6-[(4E,7aR)-4-[2-[(5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2,10-dimethyl-2,10-bis(trimethylsilyloxy)undecan-3-one;(6S)-6-[(4E,7aR)-4-[(2Z)-2-[(3S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2,10-dimethyl-2,10-bis(trimethylsilyloxy)undecan-3-one;(7aR)-1-[(6S)-2,10-dimethyl-3-oxo-2,10-bis(trimethylsilyloxy)undecan-6-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-one;tert-butyl-[(1R)-3-[tert-butyl(dimethyl)silyl]oxy-5-(2-diphenylphosphorylethylidene)cyclohexyl]oxy-dimethylsilane;tert-butyl-[(1S,3Z)-5-[tert-butyl(dimethyl)silyl]oxy-3-(2-diphenylphosphorylethylidene)-2-methylidenecyclohexyl]oxy-dimethylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

bis((7aR)-7a-methyl-1-[2,6,10-trimethyl-2,10-bis(trimethylsilyloxy)undecan-6-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-one);(3R)-5-[(2E)-2-[(7aR)-1-(2,10-dihydroxy-2,6,10-trimethylundecan-6-yl)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]cyclohexane-1,3-diol;(3S,5Z)-5-[(2E)-2-[(7aR)-1-(2,10-dihydroxy-2,6,10-trimethylundecan-6-yl)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol;tert-butyl-[(1R)-3-[tert-butyl(dimethyl)silyl]oxy-5-(2-diphenylphosphorylethylidene)cyclohexyl]oxy-dimethylsilane;tert-butyl-[(1S,3Z)-5-[tert-butyl(dimethyl)silyl]oxy-3-(2-diphenylphosphorylethylidene)-2-methylidenecyclohexyl]oxy-dimethylsilane
CID 161274371
(6S)-6-[(1R,3aS,7aR)-4-[2-[(3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2,10-dimethyl-2,10-bis(trimethylsilyloxy)undecan-3-one
CID 87745898
[(1S,3Z,5R)-3-[(2E)-2-[(1S,3aS,7aR)-7a-methyl-1-[5-methyl-1-(4-methyl-4-trimethylsilyloxypentyl)-5-trimethylsilyloxyhexyl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-5-[tert-butyl(dimethyl)silyl]oxy-2-methylidenecyclohexyl]oxy-tert-butyl-dimethylsilane
CID 11147293
[(1S,5R)-3-[2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-methyl-6-trimethylsilyloxyheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-5-[tert-butyl(dimethyl)silyl]oxy-2-methylidenecyclohexyl]oxy-tert-butyl-dimethylsilane
CID 91329862
[(1S,3Z,5R)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-methyl-6-trimethylsilyloxyheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-5-[tert-butyl(dimethyl)silyl]oxy-2-methylidenecyclohexyl]oxy-tert-butyl-dimethylsilane
CID 11388487
[(6S)-6-[(1S,3aR,4E,7aS)-4-[(2Z)-2-[(3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-methylheptan-2-yl]oxy-tert-butyl-dimethylsilane
CID 101099410
[(6S)-6-[(7aR)-4-[2-[(3S,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2,10-dimethyl-3,10-bis(triethylsilyloxy)undecan-2-yl]oxy-triethylsilane
CID 91555050
[(2R)-2-[(1R,7aR)-4-[2-[(3S,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]propyl] 2-methyl-2-trimethylsilyloxypropanoate
CID 57083563
(3S,5Z)-5-[(2E)-2-[(7aS)-7a-methyl-1-[1-[5,5,5-trideuterio-4-hydroxy-4-(trideuteriomethyl)pentyl]cyclopropyl]-3a,5,6,7-tetrahydro-3H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol;(7aS)-7a-methyl-1-[1-[5,5,5-trideuterio-4-(trideuteriomethyl)-4-trimethylsilyloxypentyl]cyclopropyl]-3a,5,6,7-tetrahydro-3H-inden-4-one;tert-butyl-[(1S,3Z)-5-[tert-butyl(dimethyl)silyl]oxy-3-(2-diphenylphosphorylethylidene)-2-methylidenecyclohexyl]oxy-dimethylsilane;oxolane
CID 161442488
methyl 5-[(4E)-4-[(2Z)-2-[3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]hexanoate
CID 167996191
(1R,3aR,7aR)-1-[(2S)-6-[tert-butyl(dimethyl)silyl]oxyhexan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-one;[(1R,3R,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2S)-6-[tert-butyl(dimethyl)silyl]oxyhexan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-3-methyl-2-methylidenecyclohexyl]oxy-tert-butyl-dimethylsilane;tert-butyl-[(1R,3R,5Z)-5-(2-diphenylphosphorylethylidene)-3-methyl-2-methylidenecyclohexyl]oxy-dimethylsilane;bis(trans-(1R,3R)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2S)-6-hydroxyhexan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-2-methylcyclohexane-1,3-diol);trans-(1R,3R)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2S)-6-hydroxyhexan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-2-methylidenecyclohexane-1,3-diol
CID 161133991
(6R)-6-[(1R,3aS,4E,7aR)-4-[(2E)-2-[(3S,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]heptan-2-one
CID 10794054

Frequently Asked Questions

What is the IUPAC name of (6S)-6-[(4E,7aR)-4-[2-[(5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2,10-dimethyl-2,10-bis(trimethylsilyloxy)undecan-3-one;(6S)-6-[(4E,7aR)-4-[(2Z)-2-[(3S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2,10-dimethyl-2,10-bis(trimethylsilyloxy)undecan-3-one;(7aR)-1-[(6S)-2,10-dimethyl-3-oxo-2,10-bis(trimethylsilyloxy)undecan-6-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-one;tert-butyl-[(1R)-3-[tert-butyl(dimethyl)silyl]oxy-5-(2-diphenylphosphorylethylidene)cyclohexyl]oxy-dimethylsilane;tert-butyl-[(1S,3Z)-5-[tert-butyl(dimethyl)silyl]oxy-3-(2-diphenylphosphorylethylidene)-2-methylidenecyclohexyl]oxy-dimethylsilane?
The IUPAC name of (6S)-6-[(4E,7aR)-4-[2-[(5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2,10-dimethyl-2,10-bis(trimethylsilyloxy)undecan-3-one;(6S)-6-[(4E,7aR)-4-[(2Z)-2-[(3S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2,10-dimethyl-2,10-bis(trimethylsilyloxy)undecan-3-one;(7aR)-1-[(6S)-2,10-dimethyl-3-oxo-2,10-bis(trimethylsilyloxy)undecan-6-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-one;tert-butyl-[(1R)-3-[tert-butyl(dimethyl)silyl]oxy-5-(2-diphenylphosphorylethylidene)cyclohexyl]oxy-dimethylsilane;tert-butyl-[(1S,3Z)-5-[tert-butyl(dimethyl)silyl]oxy-3-(2-diphenylphosphorylethylidene)-2-methylidenecyclohexyl]oxy-dimethylsilane (CID 159618522) is (6S)-6-[(4E,7aR)-4-[2-[(5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2,10-dimethyl-2,10-bis(trimethylsilyloxy)undecan-3-one;(6S)-6-[(4E,7aR)-4-[(2Z)-2-[(3S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2,10-dimethyl-2,10-bis(trimethylsilyloxy)undecan-3-one;(7aR)-1-[(6S)-2,10-dimethyl-3-oxo-2,10-bis(trimethylsilyloxy)undecan-6-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-one;tert-butyl-[(1R)-3-[tert-butyl(dimethyl)silyl]oxy-5-(2-diphenylphosphorylethylidene)cyclohexyl]oxy-dimethylsilane;tert-butyl-[(1S,3Z)-5-[tert-butyl(dimethyl)silyl]oxy-3-(2-diphenylphosphorylethylidene)-2-methylidenecyclohexyl]oxy-dimethylsilane.
What is the SMILES notation for (6S)-6-[(4E,7aR)-4-[2-[(5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2,10-dimethyl-2,10-bis(trimethylsilyloxy)undecan-3-one;(6S)-6-[(4E,7aR)-4-[(2Z)-2-[(3S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2,10-dimethyl-2,10-bis(trimethylsilyloxy)undecan-3-one;(7aR)-1-[(6S)-2,10-dimethyl-3-oxo-2,10-bis(trimethylsilyloxy)undecan-6-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-one;tert-butyl-[(1R)-3-[tert-butyl(dimethyl)silyl]oxy-5-(2-diphenylphosphorylethylidene)cyclohexyl]oxy-dimethylsilane;tert-butyl-[(1S,3Z)-5-[tert-butyl(dimethyl)silyl]oxy-3-(2-diphenylphosphorylethylidene)-2-methylidenecyclohexyl]oxy-dimethylsilane?
The canonical SMILES for (6S)-6-[(4E,7aR)-4-[2-[(5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2,10-dimethyl-2,10-bis(trimethylsilyloxy)undecan-3-one;(6S)-6-[(4E,7aR)-4-[(2Z)-2-[(3S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2,10-dimethyl-2,10-bis(trimethylsilyloxy)undecan-3-one;(7aR)-1-[(6S)-2,10-dimethyl-3-oxo-2,10-bis(trimethylsilyloxy)undecan-6-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-one;tert-butyl-[(1R)-3-[tert-butyl(dimethyl)silyl]oxy-5-(2-diphenylphosphorylethylidene)cyclohexyl]oxy-dimethylsilane;tert-butyl-[(1S,3Z)-5-[tert-butyl(dimethyl)silyl]oxy-3-(2-diphenylphosphorylethylidene)-2-methylidenecyclohexyl]oxy-dimethylsilane is C=C1/C(=C\C=C2/CCC[C@@]3(C)C2CCC3[C@@H](CCCC(C)(C)O[Si](C)(C)C)CCC(=O)C(C)(C)O[Si](C)(C)C)CC(O[Si](C)(C)C(C)(C)C)C[C@@H]1O[Si](C)(C)C(C)(C)C.C=C1/C(=C\CP(=O)(c2ccccc2)c2ccccc2)CC(O[Si](C)(C)C(C)(C)C)C[C@@H]1O[Si](C)(C)C(C)(C)C.CC(C)(C)[Si](C)(C)OC1C/C(=C/CP(=O)(c2ccccc2)c2ccccc2)C[C@@H](O[Si](C)(C)C(C)(C)C)C1.CC(C)(CCC[C@@H](CCC(=O)C(C)(C)O[Si](C)(C)C)C1CCC2/C(=C/C=C3/CC(O[Si](C)(C)C(C)(C)C)C[C@H](O[Si](C)(C)C(C)(C)C)C3)CCC[C@@]21C)O[Si](C)(C)C.CC(C)(CCC[C@@H](CCC(=O)C(C)(C)O[Si](C)(C)C)C1CCC2C(=O)CCC[C@@]21C)O[Si](C)(C)C.
What is the InChIKey of (6S)-6-[(4E,7aR)-4-[2-[(5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2,10-dimethyl-2,10-bis(trimethylsilyloxy)undecan-3-one;(6S)-6-[(4E,7aR)-4-[(2Z)-2-[(3S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2,10-dimethyl-2,10-bis(trimethylsilyloxy)undecan-3-one;(7aR)-1-[(6S)-2,10-dimethyl-3-oxo-2,10-bis(trimethylsilyloxy)undecan-6-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-one;tert-butyl-[(1R)-3-[tert-butyl(dimethyl)silyl]oxy-5-(2-diphenylphosphorylethylidene)cyclohexyl]oxy-dimethylsilane;tert-butyl-[(1S,3Z)-5-[tert-butyl(dimethyl)silyl]oxy-3-(2-diphenylphosphorylethylidene)-2-methylidenecyclohexyl]oxy-dimethylsilane?
The InChIKey is MNPCJHYIEFMYPL-CKMJTMKRSA-N. The full InChI is InChI=1S/C50H96O5Si4.C49H96O5Si4.C33H51O3PSi2.C32H51O3PSi2.C29H56O4Si2/c1-37-40(35-41(52-58(19,20)46(2,3)4)36-44(37)53-59(21,22)47(5,6)7)28-27-38-26-24-34-50(12)42(38)30-31-43(50)39(25-23-33-48(8,9)54-56(13,14)15)29-32-45(51)49(10,11)55-57(16,17)18;1-45(2,3)57(18,19)51-40-34-37(35-41(36-40)52-58(20,21)46(4,5)6)26-27-38-25-23-33-49(11)42(38)29-30-43(49)39(24-22-32-47(7,8)53-55(12,13)14)28-31-44(50)48(9,10)54-56(15,16)17;1-26-27(22-23-37(34,29-18-14-12-15-19-29)30-20-16-13-17-21-30)24-28(35-38(8,9)32(2,3)4)25-31(26)36-39(10,11)33(5,6)7;1-31(2,3)37(7,8)34-27-23-26(24-28(25-27)35-38(9,10)32(4,5)6)21-22-36(33,29-17-13-11-14-18-29)30-19-15-12-16-20-30;1-27(2,32-34(6,7)8)20-12-14-22(16-19-26(31)28(3,4)33-35(9,10)11)23-17-18-24-25(30)15-13-21-29(23,24)5/h27-28,39,41-44H,1,23-26,29-36H2,2-22H3;26-27,39-43H,22-25,28-36H2,1-21H3;12-22,28,31H,1,23-25H2,2-11H3;11-21,27-28H,22-25H2,1-10H3;22-24H,12-21H2,1-11H3/b38-27+,40-28-;37-26-,38-27+;27-22-;26-21-;/t39-,41?,42?,43?,44-,50-;39-,40?,41+,42?,43?,49-;28?,31-;27?,28-;22-,23?,24?,29+/m00010/s1.
What are the key properties of (6S)-6-[(4E,7aR)-4-[2-[(5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2,10-dimethyl-2,10-bis(trimethylsilyloxy)undecan-3-one;(6S)-6-[(4E,7aR)-4-[(2Z)-2-[(3S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2,10-dimethyl-2,10-bis(trimethylsilyloxy)undecan-3-one;(7aR)-1-[(6S)-2,10-dimethyl-3-oxo-2,10-bis(trimethylsilyloxy)undecan-6-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-one;tert-butyl-[(1R)-3-[tert-butyl(dimethyl)silyl]oxy-5-(2-diphenylphosphorylethylidene)cyclohexyl]oxy-dimethylsilane;tert-butyl-[(1S,3Z)-5-[tert-butyl(dimethyl)silyl]oxy-3-(2-diphenylphosphorylethylidene)-2-methylidenecyclohexyl]oxy-dimethylsilane?
(6S)-6-[(4E,7aR)-4-[2-[(5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2,10-dimethyl-2,10-bis(trimethylsilyloxy)undecan-3-one;(6S)-6-[(4E,7aR)-4-[(2Z)-2-[(3S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2,10-dimethyl-2,10-bis(trimethylsilyloxy)undecan-3-one;(7aR)-1-[(6S)-2,10-dimethyl-3-oxo-2,10-bis(trimethylsilyloxy)undecan-6-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-one;tert-butyl-[(1R)-3-[tert-butyl(dimethyl)silyl]oxy-5-(2-diphenylphosphorylethylidene)cyclohexyl]oxy-dimethylsilane;tert-butyl-[(1S,3Z)-5-[tert-butyl(dimethyl)silyl]oxy-3-(2-diphenylphosphorylethylidene)-2-methylidenecyclohexyl]oxy-dimethylsilane has a molecular weight of 3446.05 g/mol, XLogP of 57.12, 65 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-[(4E,7aR)-4-[2-[(5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2,10-dimethyl-2,10-bis(trimethylsilyloxy)undecan-3-one;(6S)-6-[(4E,7aR)-4-[(2Z)-2-[(3S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2,10-dimethyl-2,10-bis(trimethylsilyloxy)undecan-3-one;(7aR)-1-[(6S)-2,10-dimethyl-3-oxo-2,10-bis(trimethylsilyloxy)undecan-6-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-one;tert-butyl-[(1R)-3-[tert-butyl(dimethyl)silyl]oxy-5-(2-diphenylphosphorylethylidene)cyclohexyl]oxy-dimethylsilane;tert-butyl-[(1S,3Z)-5-[tert-butyl(dimethyl)silyl]oxy-3-(2-diphenylphosphorylethylidene)-2-methylidenecyclohexyl]oxy-dimethylsilane is sourced from PubChem (CID 159618522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).