iodotitanium(3+);tris(pentane)

C15H33ITi — CID 18688406

IUPACiodotitanium(3+);tris(pentane)
SMILES[CH2-]CCCC.[CH2-]CCCC.[CH2-]CCCC.[Ti+3]I
InChIInChI=1S/3C5H11.HI.Ti/c3*1-3-5-4-2;;/h3*1,3-5H2,2H3;1H;/q3*-1;;+4/p-1
InChIKeyLODGXRUOSYBREU-UHFFFAOYSA-M
MW388.20 g/mol
LogP6.92
Rot. Bonds6

About iodotitanium(3+);tris(pentane)

iodotitanium(3+);tris(pentane) (PubChem CID 18688406) has the molecular formula C15H33ITi and a molecular weight of 388.20 g/mol. Its IUPAC name is iodotitanium(3+);tris(pentane).

Molecular Properties

Compound Nameiodotitanium(3+);tris(pentane)
PubChem CID18688406
Molecular FormulaC15H33ITi
Molecular Weight388.20 g/mol
Exact Mass388.11
IUPAC Nameiodotitanium(3+);tris(pentane)
SMILES[CH2-]CCCC.[CH2-]CCCC.[CH2-]CCCC.[Ti+3]I
InChIInChI=1S/3C5H11.HI.Ti/c3*1-3-5-4-2;;/h3*1,3-5H2,2H3;1H;/q3*-1;;+4/p-1
InChIKeyLODGXRUOSYBREU-UHFFFAOYSA-M
XLogP6.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.20
LogP ≤ 56.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

potassium pentane
CID 23495497
palladium(2+);pentane;chloride
CID 88629932
zinc;carbanide;pentane
CID 59938610
carbanide;iridium(3+);pentane
CID 23526392
carbanide;gadolinium(2+);pentane
CID 174464461
magnesium;carbanide;pentane;hydrobromide
CID 118089273
magnesium;hexane;pentane
CID 19799394
dichlorotitanium;bis(pentane)
CID 18688492
carbanide;ethane;bis(pentane);bis(titanium(3+));hydrate
CID 88509419
CID 158218967
CID 158218967
heptadecane
CID 156905849
magnesium;methanidyl(trimethyl)silane;pentane
CID 19977373

Frequently Asked Questions

What is the IUPAC name of iodotitanium(3+);tris(pentane)?
The IUPAC name of iodotitanium(3+);tris(pentane) (CID 18688406) is iodotitanium(3+);tris(pentane).
What is the SMILES notation for iodotitanium(3+);tris(pentane)?
The canonical SMILES for iodotitanium(3+);tris(pentane) is [CH2-]CCCC.[CH2-]CCCC.[CH2-]CCCC.[Ti+3]I.
What is the InChIKey of iodotitanium(3+);tris(pentane)?
The InChIKey is LODGXRUOSYBREU-UHFFFAOYSA-M. The full InChI is InChI=1S/3C5H11.HI.Ti/c3*1-3-5-4-2;;/h3*1,3-5H2,2H3;1H;/q3*-1;;+4/p-1.
What are the key properties of iodotitanium(3+);tris(pentane)?
iodotitanium(3+);tris(pentane) has a molecular weight of 388.20 g/mol, XLogP of 6.92, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for iodotitanium(3+);tris(pentane) is sourced from PubChem (CID 18688406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).