diiodovanadium;(1R,9S)-4-(hydroxymethyl)-1-methyltricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trien-15-one;(1R,9S)-4-hydroxy-1-methyltricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trien-15-one;methane;2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol;2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl methanesulfonate;bis((1R,9S)-4-[2-[3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]propoxy]ethoxy]-1-methyltricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trien-15-amine);(1R,9S)-4-[2-[3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]propoxy]ethoxy]-1-methyltricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trien-15-one;(NZ)-N-[(1R,9S)-4-[2-[3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]propoxy]ethoxy]-1-methyl-15-tricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trienylidene]hydroxylamine

C185H319I2N3O50SV — CID 172972676

IUPACdiiodovanadium;(1R,9S)-4-(hydroxymethyl)-1-methyltricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trien-15-one;(1R,9S)-4-hydroxy-1-methyltricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trien-15-one;methane;2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol;2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl methanesulfonate;bis((1R,9S)-4-[2-[3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]propoxy]ethoxy]-1-methyltricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trien-15-amine);(1R,9S)-4-[2-[3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]propoxy]ethoxy]-1-methyltricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trien-15-one;(NZ)-N-[(1R,9S)-4-[2-[3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]propoxy]ethoxy]-1-methyl-15-tricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trienylidene]hydroxylamine
SMILESC.C.C.C.C.COCCOCCOCCOCCOCCCOCCOc1ccc2c(c1)[C@@]1(C)CCCCC[C@@H](C2)/C1=N/O.COCCOCCOCCOCCOCCCOCCOc1ccc2c(c1)[C@@]1(C)CCCCC[C@@H](C2)C1=O.COCCOCCOCCOCCOCCCOCCOc1ccc2c(c1)[C@@]1(C)CCCCC[C@@H](C2)C1N.COCCOCCOCCOCCOCCCOCCOc1ccc2c(c1)[C@@]1(C)CCCCC[C@@H](C2)C1N.COCCOCCOCCOCCOCCOCCO.COCCOCCOCCOCCOCCOCCOS(C)(=O)=O.C[C@@]12CCCCC[C@@H](Cc3ccc(CO)cc31)C2=O.C[C@@]12CCCCC[C@@H](Cc3ccc(O)cc31)C2=O.I[V]I
InChIInChI=1S/C30H49NO8.2C30H51NO7.C30H48O8.C17H22O2.C16H20O2.C14H30O9S.C13H28O7.5CH4.2HI.V/c1-30-10-5-3-4-7-26(29(30)31-32)23-25-8-9-27(24-28(25)30)39-22-21-35-12-6-11-34-15-16-37-19-20-38-18-17-36-14-13-33-2;3*1-30-10-5-3-4-7-26(29(30)31)23-25-8-9-27(24-28(25)30)38-22-21-34-12-6-11-33-15-16-36-19-20-37-18-17-35-14-13-32-2;1-17-8-4-2-3-5-14(16(17)19)10-13-7-6-12(11-18)9-15(13)17;1-16-8-4-2-3-5-12(15(16)18)9-11-6-7-13(17)10-14(11)16;1-17-3-4-18-5-6-19-7-8-20-9-10-21-11-12-22-13-14-23-24(2,15)16;1-15-4-5-17-8-9-19-12-13-20-11-10-18-7-6-16-3-2-14;;;;;;;;/h8-9,24,26,32H,3-7,10-23H2,1-2H3;2*8-9,24,26,29H,3-7,10-23,31H2,1-2H3;8-9,24,26H,3-7,10-23H2,1-2H3;6-7,9,14,18H,2-5,8,10-11H2,1H3;6-7,10,12,17H,2-5,8-9H2,1H3;3-14H2,1-2H3;14H,2-13H2,1H3;5*1H4;2*1H;/q;;;;;;;;;;;;;;;+2/p-2/b31-29-;;;;;;;;;;;;;;;/t26-,30+;2*26-,29?,30+;26-,30+;14-,17+;12-,16+;;;;;;;;;;/m000000........../s1
InChIKeyIEBKNTMDELTIOY-SDLMYYHTSA-L
MW3722.38 g/mol
LogP27.22
Rot. Bonds117

About diiodovanadium;(1R,9S)-4-(hydroxymethyl)-1-methyltricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trien-15-one;(1R,9S)-4-hydroxy-1-methyltricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trien-15-one;methane;2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol;2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl methanesulfonate;bis((1R,9S)-4-[2-[3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]propoxy]ethoxy]-1-methyltricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trien-15-amine);(1R,9S)-4-[2-[3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]propoxy]ethoxy]-1-methyltricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trien-15-one;(NZ)-N-[(1R,9S)-4-[2-[3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]propoxy]ethoxy]-1-methyl-15-tricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trienylidene]hydroxylamine

diiodovanadium;(1R,9S)-4-(hydroxymethyl)-1-methyltricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trien-15-one;(1R,9S)-4-hydroxy-1-methyltricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trien-15-one;methane;2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol;2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl methanesulfonate;bis((1R,9S)-4-[2-[3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]propoxy]ethoxy]-1-methyltricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trien-15-amine);(1R,9S)-4-[2-[3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]propoxy]ethoxy]-1-methyltricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trien-15-one;(NZ)-N-[(1R,9S)-4-[2-[3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]propoxy]ethoxy]-1-methyl-15-tricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trienylidene]hydroxylamine (PubChem CID 172972676) has the molecular formula C185H319I2N3O50SV and a molecular weight of 3722.38 g/mol. Its IUPAC name is diiodovanadium;(1R,9S)-4-(hydroxymethyl)-1-methyltricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trien-15-one;(1R,9S)-4-hydroxy-1-methyltricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trien-15-one;methane;2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol;2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl methanesulfonate;bis((1R,9S)-4-[2-[3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]propoxy]ethoxy]-1-methyltricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trien-15-amine);(1R,9S)-4-[2-[3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]propoxy]ethoxy]-1-methyltricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trien-15-one;(NZ)-N-[(1R,9S)-4-[2-[3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]propoxy]ethoxy]-1-methyl-15-tricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trienylidene]hydroxylamine.

Molecular Properties

Compound Namediiodovanadium;(1R,9S)-4-(hydroxymethyl)-1-methyltricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trien-15-one;(1R,9S)-4-hydroxy-1-methyltricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trien-15-one;methane;2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol;2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl methanesulfonate;bis((1R,9S)-4-[2-[3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]propoxy]ethoxy]-1-methyltricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trien-15-amine);(1R,9S)-4-[2-[3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]propoxy]ethoxy]-1-methyltricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trien-15-one;(NZ)-N-[(1R,9S)-4-[2-[3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]propoxy]ethoxy]-1-methyl-15-tricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trienylidene]hydroxylamine
PubChem CID172972676
Molecular FormulaC185H319I2N3O50SV
Molecular Weight3722.38 g/mol
Exact Mass3719.98
IUPAC Namediiodovanadium;(1R,9S)-4-(hydroxymethyl)-1-methyltricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trien-15-one;(1R,9S)-4-hydroxy-1-methyltricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trien-15-one;methane;2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol;2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl methanesulfonate;bis((1R,9S)-4-[2-[3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]propoxy]ethoxy]-1-methyltricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trien-15-amine);(1R,9S)-4-[2-[3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]propoxy]ethoxy]-1-methyltricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trien-15-one;(NZ)-N-[(1R,9S)-4-[2-[3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]propoxy]ethoxy]-1-methyl-15-tricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trienylidene]hydroxylamine
SMILESC.C.C.C.C.COCCOCCOCCOCCOCCCOCCOc1ccc2c(c1)[C@@]1(C)CCCCC[C@@H](C2)/C1=N/O.COCCOCCOCCOCCOCCCOCCOc1ccc2c(c1)[C@@]1(C)CCCCC[C@@H](C2)C1=O.COCCOCCOCCOCCOCCCOCCOc1ccc2c(c1)[C@@]1(C)CCCCC[C@@H](C2)C1N.COCCOCCOCCOCCOCCCOCCOc1ccc2c(c1)[C@@]1(C)CCCCC[C@@H](C2)C1N.COCCOCCOCCOCCOCCOCCO.COCCOCCOCCOCCOCCOCCOS(C)(=O)=O.C[C@@]12CCCCC[C@@H](Cc3ccc(CO)cc31)C2=O.C[C@@]12CCCCC[C@@H](Cc3ccc(O)cc31)C2=O.I[V]I
InChIInChI=1S/C30H49NO8.2C30H51NO7.C30H48O8.C17H22O2.C16H20O2.C14H30O9S.C13H28O7.5CH4.2HI.V/c1-30-10-5-3-4-7-26(29(30)31-32)23-25-8-9-27(24-28(25)30)39-22-21-35-12-6-11-34-15-16-37-19-20-38-18-17-36-14-13-33-2;3*1-30-10-5-3-4-7-26(29(30)31)23-25-8-9-27(24-28(25)30)38-22-21-34-12-6-11-33-15-16-36-19-20-37-18-17-35-14-13-32-2;1-17-8-4-2-3-5-14(16(17)19)10-13-7-6-12(11-18)9-15(13)17;1-16-8-4-2-3-5-12(15(16)18)9-11-6-7-13(17)10-14(11)16;1-17-3-4-18-5-6-19-7-8-20-9-10-21-11-12-22-13-14-23-24(2,15)16;1-15-4-5-17-8-9-19-12-13-20-11-10-18-7-6-16-3-2-14;;;;;;;;/h8-9,24,26,32H,3-7,10-23H2,1-2H3;2*8-9,24,26,29H,3-7,10-23,31H2,1-2H3;8-9,24,26H,3-7,10-23H2,1-2H3;6-7,9,14,18H,2-5,8,10-11H2,1H3;6-7,10,12,17H,2-5,8-9H2,1H3;3-14H2,1-2H3;14H,2-13H2,1H3;5*1H4;2*1H;/q;;;;;;;;;;;;;;;+2/p-2/b31-29-;;;;;;;;;;;;;;;/t26-,30+;2*26-,29?,30+;26-,30+;14-,17+;12-,16+;;;;;;;;;;/m000000........../s1
InChIKeyIEBKNTMDELTIOY-SDLMYYHTSA-L
XLogP27.22
TPSA609.10 Ų
H-Bond Donors6
H-Bond Acceptors53
Rotatable Bonds117
Heavy Atoms242
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003722.38
LogP ≤ 527.22
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1053

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze diiodovanadium;(1R,9S)-4-(hydroxymethyl)-1-methyltricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trien-15-one;(1R,9S)-4-hydroxy-1-methyltricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trien-15-one;methane;2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol;2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl methanesulfonate;bis((1R,9S)-4-[2-[3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]propoxy]ethoxy]-1-methyltricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trien-15-amine);(1R,9S)-4-[2-[3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]propoxy]ethoxy]-1-methyltricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trien-15-one;(NZ)-N-[(1R,9S)-4-[2-[3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]propoxy]ethoxy]-1-methyl-15-tricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trienylidene]hydroxylamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of diiodovanadium;(1R,9S)-4-(hydroxymethyl)-1-methyltricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trien-15-one;(1R,9S)-4-hydroxy-1-methyltricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trien-15-one;methane;2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol;2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl methanesulfonate;bis((1R,9S)-4-[2-[3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]propoxy]ethoxy]-1-methyltricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trien-15-amine);(1R,9S)-4-[2-[3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]propoxy]ethoxy]-1-methyltricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trien-15-one;(NZ)-N-[(1R,9S)-4-[2-[3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]propoxy]ethoxy]-1-methyl-15-tricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trienylidene]hydroxylamine?
The IUPAC name of diiodovanadium;(1R,9S)-4-(hydroxymethyl)-1-methyltricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trien-15-one;(1R,9S)-4-hydroxy-1-methyltricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trien-15-one;methane;2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol;2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl methanesulfonate;bis((1R,9S)-4-[2-[3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]propoxy]ethoxy]-1-methyltricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trien-15-amine);(1R,9S)-4-[2-[3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]propoxy]ethoxy]-1-methyltricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trien-15-one;(NZ)-N-[(1R,9S)-4-[2-[3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]propoxy]ethoxy]-1-methyl-15-tricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trienylidene]hydroxylamine (CID 172972676) is diiodovanadium;(1R,9S)-4-(hydroxymethyl)-1-methyltricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trien-15-one;(1R,9S)-4-hydroxy-1-methyltricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trien-15-one;methane;2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol;2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl methanesulfonate;bis((1R,9S)-4-[2-[3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]propoxy]ethoxy]-1-methyltricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trien-15-amine);(1R,9S)-4-[2-[3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]propoxy]ethoxy]-1-methyltricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trien-15-one;(NZ)-N-[(1R,9S)-4-[2-[3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]propoxy]ethoxy]-1-methyl-15-tricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trienylidene]hydroxylamine.
What is the SMILES notation for diiodovanadium;(1R,9S)-4-(hydroxymethyl)-1-methyltricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trien-15-one;(1R,9S)-4-hydroxy-1-methyltricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trien-15-one;methane;2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol;2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl methanesulfonate;bis((1R,9S)-4-[2-[3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]propoxy]ethoxy]-1-methyltricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trien-15-amine);(1R,9S)-4-[2-[3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]propoxy]ethoxy]-1-methyltricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trien-15-one;(NZ)-N-[(1R,9S)-4-[2-[3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]propoxy]ethoxy]-1-methyl-15-tricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trienylidene]hydroxylamine?
The canonical SMILES for diiodovanadium;(1R,9S)-4-(hydroxymethyl)-1-methyltricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trien-15-one;(1R,9S)-4-hydroxy-1-methyltricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trien-15-one;methane;2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol;2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl methanesulfonate;bis((1R,9S)-4-[2-[3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]propoxy]ethoxy]-1-methyltricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trien-15-amine);(1R,9S)-4-[2-[3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]propoxy]ethoxy]-1-methyltricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trien-15-one;(NZ)-N-[(1R,9S)-4-[2-[3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]propoxy]ethoxy]-1-methyl-15-tricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trienylidene]hydroxylamine is C.C.C.C.C.COCCOCCOCCOCCOCCCOCCOc1ccc2c(c1)[C@@]1(C)CCCCC[C@@H](C2)/C1=N/O.COCCOCCOCCOCCOCCCOCCOc1ccc2c(c1)[C@@]1(C)CCCCC[C@@H](C2)C1=O.COCCOCCOCCOCCOCCCOCCOc1ccc2c(c1)[C@@]1(C)CCCCC[C@@H](C2)C1N.COCCOCCOCCOCCOCCCOCCOc1ccc2c(c1)[C@@]1(C)CCCCC[C@@H](C2)C1N.COCCOCCOCCOCCOCCOCCO.COCCOCCOCCOCCOCCOCCOS(C)(=O)=O.C[C@@]12CCCCC[C@@H](Cc3ccc(CO)cc31)C2=O.C[C@@]12CCCCC[C@@H](Cc3ccc(O)cc31)C2=O.I[V]I.
What is the InChIKey of diiodovanadium;(1R,9S)-4-(hydroxymethyl)-1-methyltricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trien-15-one;(1R,9S)-4-hydroxy-1-methyltricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trien-15-one;methane;2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol;2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl methanesulfonate;bis((1R,9S)-4-[2-[3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]propoxy]ethoxy]-1-methyltricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trien-15-amine);(1R,9S)-4-[2-[3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]propoxy]ethoxy]-1-methyltricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trien-15-one;(NZ)-N-[(1R,9S)-4-[2-[3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]propoxy]ethoxy]-1-methyl-15-tricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trienylidene]hydroxylamine?
The InChIKey is IEBKNTMDELTIOY-SDLMYYHTSA-L. The full InChI is InChI=1S/C30H49NO8.2C30H51NO7.C30H48O8.C17H22O2.C16H20O2.C14H30O9S.C13H28O7.5CH4.2HI.V/c1-30-10-5-3-4-7-26(29(30)31-32)23-25-8-9-27(24-28(25)30)39-22-21-35-12-6-11-34-15-16-37-19-20-38-18-17-36-14-13-33-2;3*1-30-10-5-3-4-7-26(29(30)31)23-25-8-9-27(24-28(25)30)38-22-21-34-12-6-11-33-15-16-36-19-20-37-18-17-35-14-13-32-2;1-17-8-4-2-3-5-14(16(17)19)10-13-7-6-12(11-18)9-15(13)17;1-16-8-4-2-3-5-12(15(16)18)9-11-6-7-13(17)10-14(11)16;1-17-3-4-18-5-6-19-7-8-20-9-10-21-11-12-22-13-14-23-24(2,15)16;1-15-4-5-17-8-9-19-12-13-20-11-10-18-7-6-16-3-2-14;;;;;;;;/h8-9,24,26,32H,3-7,10-23H2,1-2H3;2*8-9,24,26,29H,3-7,10-23,31H2,1-2H3;8-9,24,26H,3-7,10-23H2,1-2H3;6-7,9,14,18H,2-5,8,10-11H2,1H3;6-7,10,12,17H,2-5,8-9H2,1H3;3-14H2,1-2H3;14H,2-13H2,1H3;5*1H4;2*1H;/q;;;;;;;;;;;;;;;+2/p-2/b31-29-;;;;;;;;;;;;;;;/t26-,30+;2*26-,29?,30+;26-,30+;14-,17+;12-,16+;;;;;;;;;;/m000000........../s1.
What are the key properties of diiodovanadium;(1R,9S)-4-(hydroxymethyl)-1-methyltricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trien-15-one;(1R,9S)-4-hydroxy-1-methyltricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trien-15-one;methane;2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol;2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl methanesulfonate;bis((1R,9S)-4-[2-[3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]propoxy]ethoxy]-1-methyltricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trien-15-amine);(1R,9S)-4-[2-[3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]propoxy]ethoxy]-1-methyltricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trien-15-one;(NZ)-N-[(1R,9S)-4-[2-[3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]propoxy]ethoxy]-1-methyl-15-tricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trienylidene]hydroxylamine?
diiodovanadium;(1R,9S)-4-(hydroxymethyl)-1-methyltricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trien-15-one;(1R,9S)-4-hydroxy-1-methyltricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trien-15-one;methane;2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol;2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl methanesulfonate;bis((1R,9S)-4-[2-[3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]propoxy]ethoxy]-1-methyltricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trien-15-amine);(1R,9S)-4-[2-[3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]propoxy]ethoxy]-1-methyltricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trien-15-one;(NZ)-N-[(1R,9S)-4-[2-[3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]propoxy]ethoxy]-1-methyl-15-tricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trienylidene]hydroxylamine has a molecular weight of 3722.38 g/mol, XLogP of 27.22, 117 rotatable bonds, 6 hydrogen bond donors, and 53 hydrogen bond acceptors.
Where does this data come from?
All data for diiodovanadium;(1R,9S)-4-(hydroxymethyl)-1-methyltricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trien-15-one;(1R,9S)-4-hydroxy-1-methyltricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trien-15-one;methane;2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol;2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl methanesulfonate;bis((1R,9S)-4-[2-[3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]propoxy]ethoxy]-1-methyltricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trien-15-amine);(1R,9S)-4-[2-[3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]propoxy]ethoxy]-1-methyltricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trien-15-one;(NZ)-N-[(1R,9S)-4-[2-[3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]propoxy]ethoxy]-1-methyl-15-tricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trienylidene]hydroxylamine is sourced from PubChem (CID 172972676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).