dichlorotitanium;bis(pentane)

C10H22Cl2Ti-2 — CID 18688492

IUPACdichlorotitanium;bis(pentane)
SMILESCl[Ti]Cl.[CH2-]CCCC.[CH2-]CCCC
InChIInChI=1S/2C5H11.2ClH.Ti/c2*1-3-5-4-2;;;/h2*1,3-5H2,2H3;2*1H;/q2*-1;;;+2/p-2
InChIKeyMMFJDROQULBVPZ-UHFFFAOYSA-L
MW261.06 g/mol
LogP5.40
Rot. Bonds4

About dichlorotitanium;bis(pentane)

dichlorotitanium;bis(pentane) (PubChem CID 18688492) has the molecular formula C10H22Cl2Ti-2 and a molecular weight of 261.06 g/mol. Its IUPAC name is dichlorotitanium;bis(pentane).

Molecular Properties

Compound Namedichlorotitanium;bis(pentane)
PubChem CID18688492
Molecular FormulaC10H22Cl2Ti-2
Molecular Weight261.06 g/mol
Exact Mass260.06
IUPAC Namedichlorotitanium;bis(pentane)
SMILESCl[Ti]Cl.[CH2-]CCCC.[CH2-]CCCC
InChIInChI=1S/2C5H11.2ClH.Ti/c2*1-3-5-4-2;;;/h2*1,3-5H2,2H3;2*1H;/q2*-1;;;+2/p-2
InChIKeyMMFJDROQULBVPZ-UHFFFAOYSA-L
XLogP5.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500261.06
LogP ≤ 55.40
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

butane;dichlorotitanium
CID 12072857
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
iodotitanium(3+);tris(pentane)
CID 18688406
magnesium;hexane;pentane
CID 19799394
chlorozinc(1+);hexane
CID 12931149
carbanide;ethane;bis(pentane);bis(titanium(3+));hydrate
CID 88509419
heptadecane
CID 156905849

Frequently Asked Questions

What is the IUPAC name of dichlorotitanium;bis(pentane)?
The IUPAC name of dichlorotitanium;bis(pentane) (CID 18688492) is dichlorotitanium;bis(pentane).
What is the SMILES notation for dichlorotitanium;bis(pentane)?
The canonical SMILES for dichlorotitanium;bis(pentane) is Cl[Ti]Cl.[CH2-]CCCC.[CH2-]CCCC.
What is the InChIKey of dichlorotitanium;bis(pentane)?
The InChIKey is MMFJDROQULBVPZ-UHFFFAOYSA-L. The full InChI is InChI=1S/2C5H11.2ClH.Ti/c2*1-3-5-4-2;;;/h2*1,3-5H2,2H3;2*1H;/q2*-1;;;+2/p-2.
What are the key properties of dichlorotitanium;bis(pentane)?
dichlorotitanium;bis(pentane) has a molecular weight of 261.06 g/mol, XLogP of 5.40, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dichlorotitanium;bis(pentane) is sourced from PubChem (CID 18688492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).