ethane;propane;bis(titanium(4+))

C20H48Ti2 — CID 173153569

IUPACethane;propane;bis(titanium(4+))
SMILESC[CH-]C.C[CH-]C.C[CH-]C.C[CH-]C.[CH2-]C.[CH2-]C.[CH2-]C.[CH2-]C.[Ti+4].[Ti+4]
InChIInChI=1S/4C3H7.4C2H5.2Ti/c4*1-3-2;4*1-2;;/h4*3H,1-2H3;4*1H2,2H3;;/q8*-1;2*+4
InChIKeyWIFVXCHDKOQHLH-UHFFFAOYSA-N
MW384.34 g/mol
LogP8.28
Rot. Bonds

About ethane;propane;bis(titanium(4+))

ethane;propane;bis(titanium(4+)) (PubChem CID 173153569) has the molecular formula C20H48Ti2 and a molecular weight of 384.34 g/mol. Its IUPAC name is ethane;propane;bis(titanium(4+)).

Molecular Properties

Compound Nameethane;propane;bis(titanium(4+))
PubChem CID173153569
Molecular FormulaC20H48Ti2
Molecular Weight384.34 g/mol
Exact Mass384.27
IUPAC Nameethane;propane;bis(titanium(4+))
SMILESC[CH-]C.C[CH-]C.C[CH-]C.C[CH-]C.[CH2-]C.[CH2-]C.[CH2-]C.[CH2-]C.[Ti+4].[Ti+4]
InChIInChI=1S/4C3H7.4C2H5.2Ti/c4*1-3-2;4*1-2;;/h4*3H,1-2H3;4*1H2,2H3;;/q8*-1;2*+4
InChIKeyWIFVXCHDKOQHLH-UHFFFAOYSA-N
XLogP8.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.34
LogP ≤ 58.28
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;propane;bis(titanium(4+))?
The IUPAC name of ethane;propane;bis(titanium(4+)) (CID 173153569) is ethane;propane;bis(titanium(4+)).
What is the SMILES notation for ethane;propane;bis(titanium(4+))?
The canonical SMILES for ethane;propane;bis(titanium(4+)) is C[CH-]C.C[CH-]C.C[CH-]C.C[CH-]C.[CH2-]C.[CH2-]C.[CH2-]C.[CH2-]C.[Ti+4].[Ti+4].
What is the InChIKey of ethane;propane;bis(titanium(4+))?
The InChIKey is WIFVXCHDKOQHLH-UHFFFAOYSA-N. The full InChI is InChI=1S/4C3H7.4C2H5.2Ti/c4*1-3-2;4*1-2;;/h4*3H,1-2H3;4*1H2,2H3;;/q8*-1;2*+4.
What are the key properties of ethane;propane;bis(titanium(4+))?
ethane;propane;bis(titanium(4+)) has a molecular weight of 384.34 g/mol, XLogP of 8.28, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;propane;bis(titanium(4+)) is sourced from PubChem (CID 173153569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).