butane;chlorotitanium(1+)

C4H9ClTi — CID 141052543

IUPACbutane;chlorotitanium(1+)
SMILESCl[Ti+].[CH2-]CCC
InChIInChI=1S/C4H9.ClH.Ti/c1-3-4-2;;/h1,3-4H2,2H3;1H;/q-1;;+2/p-1
InChIKeyMJCZVGLKPHNMTD-UHFFFAOYSA-M
MW140.44 g/mol
LogP2.31
Rot. Bonds1

About butane;chlorotitanium(1+)

butane;chlorotitanium(1+) (PubChem CID 141052543) has the molecular formula C4H9ClTi and a molecular weight of 140.44 g/mol. Its IUPAC name is butane;chlorotitanium(1+).

Molecular Properties

Compound Namebutane;chlorotitanium(1+)
PubChem CID141052543
Molecular FormulaC4H9ClTi
Molecular Weight140.44 g/mol
Exact Mass139.99
IUPAC Namebutane;chlorotitanium(1+)
SMILESCl[Ti+].[CH2-]CCC
InChIInChI=1S/C4H9.ClH.Ti/c1-3-4-2;;/h1,3-4H2,2H3;1H;/q-1;;+2/p-1
InChIKeyMJCZVGLKPHNMTD-UHFFFAOYSA-M
XLogP2.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.44
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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CID 88723296
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CID 24940344
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CID 57419181
butane;terbium(3+)
CID 21057379
butane;tris(rubidium(1+))
CID 59203345
butane;lithium(1-)
CID 154172744
butane;dichlorotitanium
CID 12072857
butane;carbanide;iron(3+)
CID 150229735
potassium;butane;trihydrofluoride
CID 175562651
butane;carbanide;zirconium(4+)
CID 154094622
magnesium;butane;chloride
CID 6101660

Frequently Asked Questions

What is the IUPAC name of butane;chlorotitanium(1+)?
The IUPAC name of butane;chlorotitanium(1+) (CID 141052543) is butane;chlorotitanium(1+).
What is the SMILES notation for butane;chlorotitanium(1+)?
The canonical SMILES for butane;chlorotitanium(1+) is Cl[Ti+].[CH2-]CCC.
What is the InChIKey of butane;chlorotitanium(1+)?
The InChIKey is MJCZVGLKPHNMTD-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H9.ClH.Ti/c1-3-4-2;;/h1,3-4H2,2H3;1H;/q-1;;+2/p-1.
What are the key properties of butane;chlorotitanium(1+)?
butane;chlorotitanium(1+) has a molecular weight of 140.44 g/mol, XLogP of 2.31, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butane;chlorotitanium(1+) is sourced from PubChem (CID 141052543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).