butane;diiodovanadium;methane;8-methyl-8-azabicyclo[3.2.1]octan-3-ol;8-methyl-3-propoxy-8-azabicyclo[3.2.1]octane;triiodovanadium

C24H50I5N2O2V2 — CID 158544698

IUPACbutane;diiodovanadium;methane;8-methyl-8-azabicyclo[3.2.1]octan-3-ol;8-methyl-3-propoxy-8-azabicyclo[3.2.1]octane;triiodovanadium
SMILESC.CCCC.CCCOC1CC2CCC(C1)N2C.CN1C2CCC1CC(O)C2.I[V](I)I.I[V]I
InChIInChI=1S/C11H21NO.C8H15NO.C4H10.CH4.5HI.2V/c1-3-6-13-11-7-9-4-5-10(8-11)12(9)2;1-9-6-2-3-7(9)5-8(10)4-6;1-3-4-2;;;;;;;;/h9-11H,3-8H2,1-2H3;6-8,10H,2-5H2,1H3;3-4H2,1-2H3;1H4;5*1H;;/q;;;;;;;;;+2;+3/p-5
InChIKeyHOYUPWIALLLDLM-UHFFFAOYSA-I
MW1135.08 g/mol
LogP9.51
Rot. Bonds4

About butane;diiodovanadium;methane;8-methyl-8-azabicyclo[3.2.1]octan-3-ol;8-methyl-3-propoxy-8-azabicyclo[3.2.1]octane;triiodovanadium

butane;diiodovanadium;methane;8-methyl-8-azabicyclo[3.2.1]octan-3-ol;8-methyl-3-propoxy-8-azabicyclo[3.2.1]octane;triiodovanadium (PubChem CID 158544698) has the molecular formula C24H50I5N2O2V2 and a molecular weight of 1135.08 g/mol. Its IUPAC name is butane;diiodovanadium;methane;8-methyl-8-azabicyclo[3.2.1]octan-3-ol;8-methyl-3-propoxy-8-azabicyclo[3.2.1]octane;triiodovanadium.

Molecular Properties

Compound Namebutane;diiodovanadium;methane;8-methyl-8-azabicyclo[3.2.1]octan-3-ol;8-methyl-3-propoxy-8-azabicyclo[3.2.1]octane;triiodovanadium
PubChem CID158544698
Molecular FormulaC24H50I5N2O2V2
Molecular Weight1135.08 g/mol
Exact Mass1134.80
IUPAC Namebutane;diiodovanadium;methane;8-methyl-8-azabicyclo[3.2.1]octan-3-ol;8-methyl-3-propoxy-8-azabicyclo[3.2.1]octane;triiodovanadium
SMILESC.CCCC.CCCOC1CC2CCC(C1)N2C.CN1C2CCC1CC(O)C2.I[V](I)I.I[V]I
InChIInChI=1S/C11H21NO.C8H15NO.C4H10.CH4.5HI.2V/c1-3-6-13-11-7-9-4-5-10(8-11)12(9)2;1-9-6-2-3-7(9)5-8(10)4-6;1-3-4-2;;;;;;;;/h9-11H,3-8H2,1-2H3;6-8,10H,2-5H2,1H3;3-4H2,1-2H3;1H4;5*1H;;/q;;;;;;;;;+2;+3/p-5
InChIKeyHOYUPWIALLLDLM-UHFFFAOYSA-I
XLogP9.51
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001135.08
LogP ≤ 59.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze butane;diiodovanadium;methane;8-methyl-8-azabicyclo[3.2.1]octan-3-ol;8-methyl-3-propoxy-8-azabicyclo[3.2.1]octane;triiodovanadium with MolForge

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Related Compounds

8-Methyl-3-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]-8-azabicyclo[3.2.1]octane
CID 56625364
Butane;diiodovanadium;methane;8-methyl-8-azabicyclo[3.2.1]octan-3-ol;8-methyl-3-propoxy-8-azabicyclo[3.2.1]octane
CID 159532638
(6R)-8-methyl-8-azabicyclo[3.2.1]octan-6-ol;(6S)-8-methyl-8-azabicyclo[3.2.1]octan-6-ol
CID 160181347
(5R)-8-methyl-8-azabicyclo[3.2.1]octan-6-ol
CID 160181348
(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol
CID 160247399
8-[3-(3-Hydroxy-8-methyl-8-azoniabicyclo[3.2.1]octan-8-yl)propyl]-8-methyl-8-azoniabicyclo[3.2.1]octan-3-ol
CID 9996266
8-[10-(3-Hydroxy-8-methyl-8-azoniabicyclo[3.2.1]octan-8-yl)decyl]-8-methyl-8-azoniabicyclo[3.2.1]octan-3-ol
CID 10454836
8-Methyl-8-[4-(8-methyl-3-oxido-8-azoniabicyclo[3.2.1]octan-8-yl)butyl]-8-azoniabicyclo[3.2.1]octan-3-olate
CID 11724594
8-[4-(3-Hydroxy-8-methyl-8-azoniabicyclo[3.2.1]octan-8-yl)butyl]-8-methyl-8-azoniabicyclo[3.2.1]octan-3-ol
CID 11724595
(1S,5R)-8-[6-[(1S,5R)-3-hydroxy-8-methyl-8-azoniabicyclo[3.2.1]octan-8-yl]hexyl]-8-methyl-8-azoniabicyclo[3.2.1]octan-3-ol
CID 100917109
(1S,5R)-8-[7-[(1R,5S)-3-hydroxy-8-methyl-8-azoniabicyclo[3.2.1]octan-8-yl]heptyl]-8-methyl-8-azoniabicyclo[3.2.1]octan-3-ol
CID 100917110
(1S,5R)-8-[8-[(1S,5R)-3-hydroxy-8-methyl-8-azoniabicyclo[3.2.1]octan-8-yl]octyl]-8-methyl-8-azoniabicyclo[3.2.1]octan-3-ol
CID 100917111

Frequently Asked Questions

What is the IUPAC name of butane;diiodovanadium;methane;8-methyl-8-azabicyclo[3.2.1]octan-3-ol;8-methyl-3-propoxy-8-azabicyclo[3.2.1]octane;triiodovanadium?
The IUPAC name of butane;diiodovanadium;methane;8-methyl-8-azabicyclo[3.2.1]octan-3-ol;8-methyl-3-propoxy-8-azabicyclo[3.2.1]octane;triiodovanadium (CID 158544698) is butane;diiodovanadium;methane;8-methyl-8-azabicyclo[3.2.1]octan-3-ol;8-methyl-3-propoxy-8-azabicyclo[3.2.1]octane;triiodovanadium.
What is the SMILES notation for butane;diiodovanadium;methane;8-methyl-8-azabicyclo[3.2.1]octan-3-ol;8-methyl-3-propoxy-8-azabicyclo[3.2.1]octane;triiodovanadium?
The canonical SMILES for butane;diiodovanadium;methane;8-methyl-8-azabicyclo[3.2.1]octan-3-ol;8-methyl-3-propoxy-8-azabicyclo[3.2.1]octane;triiodovanadium is C.CCCC.CCCOC1CC2CCC(C1)N2C.CN1C2CCC1CC(O)C2.I[V](I)I.I[V]I.
What is the InChIKey of butane;diiodovanadium;methane;8-methyl-8-azabicyclo[3.2.1]octan-3-ol;8-methyl-3-propoxy-8-azabicyclo[3.2.1]octane;triiodovanadium?
The InChIKey is HOYUPWIALLLDLM-UHFFFAOYSA-I. The full InChI is InChI=1S/C11H21NO.C8H15NO.C4H10.CH4.5HI.2V/c1-3-6-13-11-7-9-4-5-10(8-11)12(9)2;1-9-6-2-3-7(9)5-8(10)4-6;1-3-4-2;;;;;;;;/h9-11H,3-8H2,1-2H3;6-8,10H,2-5H2,1H3;3-4H2,1-2H3;1H4;5*1H;;/q;;;;;;;;;+2;+3/p-5.
What are the key properties of butane;diiodovanadium;methane;8-methyl-8-azabicyclo[3.2.1]octan-3-ol;8-methyl-3-propoxy-8-azabicyclo[3.2.1]octane;triiodovanadium?
butane;diiodovanadium;methane;8-methyl-8-azabicyclo[3.2.1]octan-3-ol;8-methyl-3-propoxy-8-azabicyclo[3.2.1]octane;triiodovanadium has a molecular weight of 1135.08 g/mol, XLogP of 9.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butane;diiodovanadium;methane;8-methyl-8-azabicyclo[3.2.1]octan-3-ol;8-methyl-3-propoxy-8-azabicyclo[3.2.1]octane;triiodovanadium is sourced from PubChem (CID 158544698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).