diiodovanadium;2-[1-(4-methylpentan-2-yl)-3,6-dihydro-2H-pyridin-2-yl]acetaldehyde

C13H23I2NOV — CID 157343265

IUPACdiiodovanadium;2-[1-(4-methylpentan-2-yl)-3,6-dihydro-2H-pyridin-2-yl]acetaldehyde
SMILESCC(C)CC(C)N1CC=CCC1CC=O.I[V]I
InChIInChI=1S/C13H23NO.2HI.V/c1-11(2)10-12(3)14-8-5-4-6-13(14)7-9-15;;;/h4-5,9,11-13H,6-8,10H2,1-3H3;2*1H;/q;;;+2/p-2
InChIKeyBGQPTZXCEIIINC-UHFFFAOYSA-L
MW514.09 g/mol
LogP4.41
Rot. Bonds5

About diiodovanadium;2-[1-(4-methylpentan-2-yl)-3,6-dihydro-2H-pyridin-2-yl]acetaldehyde

diiodovanadium;2-[1-(4-methylpentan-2-yl)-3,6-dihydro-2H-pyridin-2-yl]acetaldehyde (PubChem CID 157343265) has the molecular formula C13H23I2NOV and a molecular weight of 514.09 g/mol. Its IUPAC name is diiodovanadium;2-[1-(4-methylpentan-2-yl)-3,6-dihydro-2H-pyridin-2-yl]acetaldehyde.

Molecular Properties

Compound Namediiodovanadium;2-[1-(4-methylpentan-2-yl)-3,6-dihydro-2H-pyridin-2-yl]acetaldehyde
PubChem CID157343265
Molecular FormulaC13H23I2NOV
Molecular Weight514.09 g/mol
Exact Mass513.93
IUPAC Namediiodovanadium;2-[1-(4-methylpentan-2-yl)-3,6-dihydro-2H-pyridin-2-yl]acetaldehyde
SMILESCC(C)CC(C)N1CC=CCC1CC=O.I[V]I
InChIInChI=1S/C13H23NO.2HI.V/c1-11(2)10-12(3)14-8-5-4-6-13(14)7-9-15;;;/h4-5,9,11-13H,6-8,10H2,1-3H3;2*1H;/q;;;+2/p-2
InChIKeyBGQPTZXCEIIINC-UHFFFAOYSA-L
XLogP4.41
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.09
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(Diethylamino)cyclohex-3-ene-1-carbaldehyde
CID 121219528
2-[1-(4-methylpentan-2-yl)-3,6-dihydro-2H-pyridin-2-yl]acetaldehyde
CID 20655773
1-methyl-6-propan-2-yl-3,6-dihydro-2H-pyridine-5-carbaldehyde
CID 53700082
6-(Dimethylamino)-4,4-dimethylcyclohex-2-ene-1-carbaldehyde
CID 174375463

Frequently Asked Questions

What is the IUPAC name of diiodovanadium;2-[1-(4-methylpentan-2-yl)-3,6-dihydro-2H-pyridin-2-yl]acetaldehyde?
The IUPAC name of diiodovanadium;2-[1-(4-methylpentan-2-yl)-3,6-dihydro-2H-pyridin-2-yl]acetaldehyde (CID 157343265) is diiodovanadium;2-[1-(4-methylpentan-2-yl)-3,6-dihydro-2H-pyridin-2-yl]acetaldehyde.
What is the SMILES notation for diiodovanadium;2-[1-(4-methylpentan-2-yl)-3,6-dihydro-2H-pyridin-2-yl]acetaldehyde?
The canonical SMILES for diiodovanadium;2-[1-(4-methylpentan-2-yl)-3,6-dihydro-2H-pyridin-2-yl]acetaldehyde is CC(C)CC(C)N1CC=CCC1CC=O.I[V]I.
What is the InChIKey of diiodovanadium;2-[1-(4-methylpentan-2-yl)-3,6-dihydro-2H-pyridin-2-yl]acetaldehyde?
The InChIKey is BGQPTZXCEIIINC-UHFFFAOYSA-L. The full InChI is InChI=1S/C13H23NO.2HI.V/c1-11(2)10-12(3)14-8-5-4-6-13(14)7-9-15;;;/h4-5,9,11-13H,6-8,10H2,1-3H3;2*1H;/q;;;+2/p-2.
What are the key properties of diiodovanadium;2-[1-(4-methylpentan-2-yl)-3,6-dihydro-2H-pyridin-2-yl]acetaldehyde?
diiodovanadium;2-[1-(4-methylpentan-2-yl)-3,6-dihydro-2H-pyridin-2-yl]acetaldehyde has a molecular weight of 514.09 g/mol, XLogP of 4.41, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diiodovanadium;2-[1-(4-methylpentan-2-yl)-3,6-dihydro-2H-pyridin-2-yl]acetaldehyde is sourced from PubChem (CID 157343265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).