ethoxyethane;molybdenum;tetrakis(oxygen(2-));bis(5,11,17,23-tetratert-butyl-26,28-dimethoxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene-25,27-diolate)

C104H146Mo2O15-12 — CID 139134007

IUPACethoxyethane;molybdenum;tetrakis(oxygen(2-));bis(5,11,17,23-tetratert-butyl-26,28-dimethoxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene-25,27-diolate)
SMILESCCOCC.CCOCC.CCOCC.COc1c2cc(C(C)(C)C)cc1Cc1cc(C(C)(C)C)cc(c1[O-])Cc1cc(C(C)(C)C)cc(c1OC)Cc1cc(C(C)(C)C)cc(c1[O-])C2.COc1c2cc(C(C)(C)C)cc1Cc1cc(C(C)(C)C)cc(c1[O-])Cc1cc(C(C)(C)C)cc(c1OC)Cc1cc(C(C)(C)C)cc(c1[O-])C2.[Mo].[Mo].[O-2].[O-2].[O-2].[O-2]
InChIInChI=1S/2C46H60O4.3C4H10O.2Mo.4O/c2*1-43(2,3)35-19-27-15-31-23-37(45(7,8)9)25-33(41(31)49-13)17-29-21-36(44(4,5)6)22-30(40(29)48)18-34-26-38(46(10,11)12)24-32(42(34)50-14)16-28(20-35)39(27)47;3*1-3-5-4-2;;;;;;/h2*19-26,47-48H,15-18H2,1-14H3;3*3-4H2,1-2H3;;;;;;/q;;;;;;;4*-2/p-4
InChIKeyVSAAWJKZYUDBGX-UHFFFAOYSA-J
MW1828.18 g/mol
LogP22.08
Rot. Bonds10

About ethoxyethane;molybdenum;tetrakis(oxygen(2-));bis(5,11,17,23-tetratert-butyl-26,28-dimethoxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene-25,27-diolate)

ethoxyethane;molybdenum;tetrakis(oxygen(2-));bis(5,11,17,23-tetratert-butyl-26,28-dimethoxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene-25,27-diolate) (PubChem CID 139134007) has the molecular formula C104H146Mo2O15-12 and a molecular weight of 1828.18 g/mol. Its IUPAC name is ethoxyethane;molybdenum;tetrakis(oxygen(2-));bis(5,11,17,23-tetratert-butyl-26,28-dimethoxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene-25,27-diolate).

Molecular Properties

Compound Nameethoxyethane;molybdenum;tetrakis(oxygen(2-));bis(5,11,17,23-tetratert-butyl-26,28-dimethoxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene-25,27-diolate)
PubChem CID139134007
Molecular FormulaC104H146Mo2O15-12
Molecular Weight1828.18 g/mol
Exact Mass1830.88
IUPAC Nameethoxyethane;molybdenum;tetrakis(oxygen(2-));bis(5,11,17,23-tetratert-butyl-26,28-dimethoxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene-25,27-diolate)
SMILESCCOCC.CCOCC.CCOCC.COc1c2cc(C(C)(C)C)cc1Cc1cc(C(C)(C)C)cc(c1[O-])Cc1cc(C(C)(C)C)cc(c1OC)Cc1cc(C(C)(C)C)cc(c1[O-])C2.COc1c2cc(C(C)(C)C)cc1Cc1cc(C(C)(C)C)cc(c1[O-])Cc1cc(C(C)(C)C)cc(c1OC)Cc1cc(C(C)(C)C)cc(c1[O-])C2.[Mo].[Mo].[O-2].[O-2].[O-2].[O-2]
InChIInChI=1S/2C46H60O4.3C4H10O.2Mo.4O/c2*1-43(2,3)35-19-27-15-31-23-37(45(7,8)9)25-33(41(31)49-13)17-29-21-36(44(4,5)6)22-30(40(29)48)18-34-26-38(46(10,11)12)24-32(42(34)50-14)16-28(20-35)39(27)47;3*1-3-5-4-2;;;;;;/h2*19-26,47-48H,15-18H2,1-14H3;3*3-4H2,1-2H3;;;;;;/q;;;;;;;4*-2/p-4
InChIKeyVSAAWJKZYUDBGX-UHFFFAOYSA-J
XLogP22.08
TPSA270.85 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds10
Heavy Atoms121
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001828.18
LogP ≤ 522.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze ethoxyethane;molybdenum;tetrakis(oxygen(2-));bis(5,11,17,23-tetratert-butyl-26,28-dimethoxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene-25,27-diolate) with MolForge

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Related Compounds

5,11,17,23,29-pentatert-butyl-31,32,33,34,35-pentamethoxyhexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(30),3,5,7(35),9,11,13(34),15,17,19(33),21(32),22,24,27(31),28-pentadecaene
CID 14932368
5,13,19,27-tetratert-butyl-29,30,31,32-tetramethoxypentacyclo[23.3.1.13,7.111,15.117,21]dotriaconta-1(28),3,5,7(32),11(31),12,14,17,19,21(30),25(29),26-dodecaene
CID 10676603
5,11,17,23,29,35,41,47-octatert-butyl-53,54,55,56-tetramethoxynonacyclo[43.3.1.13,7.19,13.115,19.121,25.127,31.133,37.139,43]hexapentaconta-1(48),3(56),4,6,9(55),10,12,15,17,19(54),21,23,25(53),27,29,31(52),33,35,37(51),39(50),40,42,45(49),46-tetracosaene-49,50,51,52-tetrol
CID 10102968
5,11,17,23,29,35,41,47-octatert-butyl-50,52,53,54,55,56-hexamethoxynonacyclo[43.3.1.13,7.19,13.115,19.121,25.127,31.133,37.139,43]hexapentaconta-1(48),3(56),4,6,9(55),10,12,15,17,19(54),21,23,25(53),27,29,31(52),33,35,37(51),39(50),40,42,45(49),46-tetracosaene-49,51-diol
CID 10748996
6,13-ditert-butyl-15-(ethoxymethyl)-16-methoxytricyclo[9.3.1.14,8]hexadeca-1(14),4,6,8(16),11(15),12-hexaene
CID 101128479
diethyl [5,11,17,23,29,35-hexatert-butyl-39,41-bis(diethoxyphosphoryloxy)-38,40,42-trimethoxy-37-heptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(36),3,5,7(42),9,11,13(41),15,17,19(40),21(39),22,24,27(38),28,30,33(37),34-octadecaenyl] phosphate
CID 10034467
5,11,17,23-tetratert-butyl-29-methoxy-1-methyl-1-silaheptacyclo[13.11.1.13,25.19,13.02,7.019,27.021,26]nonacosa-2(7),3,5,9,11,13(29),15(27),16,18,21(26),22,24-dodecaene
CID 101076218
5,11,17,23-tetratert-butyl-31,32,33,34,35-pentamethoxy-29-nitrohexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(30),3,5,7(35),9,11,13(34),15(33),16,18,21(32),22,24,27(31),28-pentadecaene
CID 134853265
6,13,21-tritert-butyl-23,24,25-trimethoxytetracyclo[17.3.1.14,8.111,15]pentacosa-1(22),4,6,8(25),11,13,15(24),19(23),20-nonaene
CID 15320227
2-[[5,11,17,23,29,35-hexatert-butyl-39,41-bis(carboxymethoxy)-38,40,42-trimethoxy-37-heptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(36),3,5,7(42),9,11,13(41),15,17,19(40),21(39),22,24,27(38),28,30,33(37),34-octadecaenyl]oxy]acetic acid
CID 11159151
5,11,17,23-tetratert-butyl-28-(2-ethoxyethoxy)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene-25,26,27-triol
CID 102046932
7-tert-butyl-15,17,18-trimethoxytricyclo[11.3.1.15,9]octadeca-1(16),5,7,9(18),13(17),14-hexaene-3,11-dione
CID 15249086

Frequently Asked Questions

What is the IUPAC name of ethoxyethane;molybdenum;tetrakis(oxygen(2-));bis(5,11,17,23-tetratert-butyl-26,28-dimethoxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene-25,27-diolate)?
The IUPAC name of ethoxyethane;molybdenum;tetrakis(oxygen(2-));bis(5,11,17,23-tetratert-butyl-26,28-dimethoxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene-25,27-diolate) (CID 139134007) is ethoxyethane;molybdenum;tetrakis(oxygen(2-));bis(5,11,17,23-tetratert-butyl-26,28-dimethoxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene-25,27-diolate).
What is the SMILES notation for ethoxyethane;molybdenum;tetrakis(oxygen(2-));bis(5,11,17,23-tetratert-butyl-26,28-dimethoxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene-25,27-diolate)?
The canonical SMILES for ethoxyethane;molybdenum;tetrakis(oxygen(2-));bis(5,11,17,23-tetratert-butyl-26,28-dimethoxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene-25,27-diolate) is CCOCC.CCOCC.CCOCC.COc1c2cc(C(C)(C)C)cc1Cc1cc(C(C)(C)C)cc(c1[O-])Cc1cc(C(C)(C)C)cc(c1OC)Cc1cc(C(C)(C)C)cc(c1[O-])C2.COc1c2cc(C(C)(C)C)cc1Cc1cc(C(C)(C)C)cc(c1[O-])Cc1cc(C(C)(C)C)cc(c1OC)Cc1cc(C(C)(C)C)cc(c1[O-])C2.[Mo].[Mo].[O-2].[O-2].[O-2].[O-2].
What is the InChIKey of ethoxyethane;molybdenum;tetrakis(oxygen(2-));bis(5,11,17,23-tetratert-butyl-26,28-dimethoxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene-25,27-diolate)?
The InChIKey is VSAAWJKZYUDBGX-UHFFFAOYSA-J. The full InChI is InChI=1S/2C46H60O4.3C4H10O.2Mo.4O/c2*1-43(2,3)35-19-27-15-31-23-37(45(7,8)9)25-33(41(31)49-13)17-29-21-36(44(4,5)6)22-30(40(29)48)18-34-26-38(46(10,11)12)24-32(42(34)50-14)16-28(20-35)39(27)47;3*1-3-5-4-2;;;;;;/h2*19-26,47-48H,15-18H2,1-14H3;3*3-4H2,1-2H3;;;;;;/q;;;;;;;4*-2/p-4.
What are the key properties of ethoxyethane;molybdenum;tetrakis(oxygen(2-));bis(5,11,17,23-tetratert-butyl-26,28-dimethoxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene-25,27-diolate)?
ethoxyethane;molybdenum;tetrakis(oxygen(2-));bis(5,11,17,23-tetratert-butyl-26,28-dimethoxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene-25,27-diolate) has a molecular weight of 1828.18 g/mol, XLogP of 22.08, 10 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxyethane;molybdenum;tetrakis(oxygen(2-));bis(5,11,17,23-tetratert-butyl-26,28-dimethoxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene-25,27-diolate) is sourced from PubChem (CID 139134007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).