ethane;titanium(3+);hydrobromide

C6H16BrTi — CID 174198893

IUPACethane;titanium(3+);hydrobromide
SMILESBr.[CH2-]C.[CH2-]C.[CH2-]C.[Ti+3]
InChIInChI=1S/3C2H5.BrH.Ti/c3*1-2;;/h3*1H2,2H3;1H;/q3*-1;;+3
InChIKeyIQDMSBZBCAPWHF-UHFFFAOYSA-N
MW215.96 g/mol
LogP3.10
Rot. Bonds

About ethane;titanium(3+);hydrobromide

ethane;titanium(3+);hydrobromide (PubChem CID 174198893) has the molecular formula C6H16BrTi and a molecular weight of 215.96 g/mol. Its IUPAC name is ethane;titanium(3+);hydrobromide.

Molecular Properties

Compound Nameethane;titanium(3+);hydrobromide
PubChem CID174198893
Molecular FormulaC6H16BrTi
Molecular Weight215.96 g/mol
Exact Mass214.99
IUPAC Nameethane;titanium(3+);hydrobromide
SMILESBr.[CH2-]C.[CH2-]C.[CH2-]C.[Ti+3]
InChIInChI=1S/3C2H5.BrH.Ti/c3*1-2;;/h3*1H2,2H3;1H;/q3*-1;;+3
InChIKeyIQDMSBZBCAPWHF-UHFFFAOYSA-N
XLogP3.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.96
LogP ≤ 53.10
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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Frequently Asked Questions

What is the IUPAC name of ethane;titanium(3+);hydrobromide?
The IUPAC name of ethane;titanium(3+);hydrobromide (CID 174198893) is ethane;titanium(3+);hydrobromide.
What is the SMILES notation for ethane;titanium(3+);hydrobromide?
The canonical SMILES for ethane;titanium(3+);hydrobromide is Br.[CH2-]C.[CH2-]C.[CH2-]C.[Ti+3].
What is the InChIKey of ethane;titanium(3+);hydrobromide?
The InChIKey is IQDMSBZBCAPWHF-UHFFFAOYSA-N. The full InChI is InChI=1S/3C2H5.BrH.Ti/c3*1-2;;/h3*1H2,2H3;1H;/q3*-1;;+3.
What are the key properties of ethane;titanium(3+);hydrobromide?
ethane;titanium(3+);hydrobromide has a molecular weight of 215.96 g/mol, XLogP of 3.10, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;titanium(3+);hydrobromide is sourced from PubChem (CID 174198893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).