lithium;buta-1,3-diene;hydride;titanium

C4H7LiTi — CID 173312830

IUPAClithium;buta-1,3-diene;hydride;titanium
SMILESC=CC=C.[H-].[Li+].[Ti]
InChIInChI=1S/C4H6.Li.Ti.H/c1-3-4-2;;;/h3-4H,1-2H2;;;/q;+1;;-1
InChIKeyQBAGIVTYERDSTH-UHFFFAOYSA-N
MW109.91 g/mol
LogP-1.53
Rot. Bonds1

About lithium;buta-1,3-diene;hydride;titanium

lithium;buta-1,3-diene;hydride;titanium (PubChem CID 173312830) has the molecular formula C4H7LiTi and a molecular weight of 109.91 g/mol. Its IUPAC name is lithium;buta-1,3-diene;hydride;titanium.

Molecular Properties

Compound Namelithium;buta-1,3-diene;hydride;titanium
PubChem CID173312830
Molecular FormulaC4H7LiTi
Molecular Weight109.91 g/mol
Exact Mass110.02
IUPAC Namelithium;buta-1,3-diene;hydride;titanium
SMILESC=CC=C.[H-].[Li+].[Ti]
InChIInChI=1S/C4H6.Li.Ti.H/c1-3-4-2;;;/h3-4H,1-2H2;;;/q;+1;;-1
InChIKeyQBAGIVTYERDSTH-UHFFFAOYSA-N
XLogP-1.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.91
LogP ≤ 5-1.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

potassium;buta-1,3-diene;hydride
CID 173344451
magnesium;buta-1,3-diene;hydride
CID 173132435
buta-1,3-diene
CID 7845
buta-1,3-diene;sulfanide
CID 19865721
buta-1,3-diene;niobium
CID 159648114
magnesium buta-1,3-diene
CID 12825333
buta-1,3-diene;zirconium
CID 173105589
CID 158304462
CID 158304462
buta-1,3-diene;hydrochloride
CID 22994657
buta-1,3-diene;iron
CID 162166564
buta-1,3-diene;methane;uranium
CID 159390799
buta-1,3-diene;hydrazine
CID 159339609

Frequently Asked Questions

What is the IUPAC name of lithium;buta-1,3-diene;hydride;titanium?
The IUPAC name of lithium;buta-1,3-diene;hydride;titanium (CID 173312830) is lithium;buta-1,3-diene;hydride;titanium.
What is the SMILES notation for lithium;buta-1,3-diene;hydride;titanium?
The canonical SMILES for lithium;buta-1,3-diene;hydride;titanium is C=CC=C.[H-].[Li+].[Ti].
What is the InChIKey of lithium;buta-1,3-diene;hydride;titanium?
The InChIKey is QBAGIVTYERDSTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6.Li.Ti.H/c1-3-4-2;;;/h3-4H,1-2H2;;;/q;+1;;-1.
What are the key properties of lithium;buta-1,3-diene;hydride;titanium?
lithium;buta-1,3-diene;hydride;titanium has a molecular weight of 109.91 g/mol, XLogP of -1.53, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;buta-1,3-diene;hydride;titanium is sourced from PubChem (CID 173312830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).