phosphane;titanium;hydrate

H5OPTi — CID 172796492

IUPACphosphane;titanium;hydrate
SMILESO.P.[Ti]
InChIInChI=1S/H2O.H3P.Ti/h1H2;1H3;
InChIKeyDLBVRUPSVWYPJE-UHFFFAOYSA-N
MW99.88 g/mol
LogP-0.77
Rot. Bonds

About phosphane;titanium;hydrate

phosphane;titanium;hydrate (PubChem CID 172796492) has the molecular formula H5OPTi and a molecular weight of 99.88 g/mol. Its IUPAC name is phosphane;titanium;hydrate.

Molecular Properties

Compound Namephosphane;titanium;hydrate
PubChem CID172796492
Molecular FormulaH5OPTi
Molecular Weight99.88 g/mol
Exact Mass99.96
IUPAC Namephosphane;titanium;hydrate
SMILESO.P.[Ti]
InChIInChI=1S/H2O.H3P.Ti/h1H2;1H3;
InChIKeyDLBVRUPSVWYPJE-UHFFFAOYSA-N
XLogP-0.77
TPSA31.50 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms3
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.88
LogP ≤ 5-0.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of phosphane;titanium;hydrate?
The IUPAC name of phosphane;titanium;hydrate (CID 172796492) is phosphane;titanium;hydrate.
What is the SMILES notation for phosphane;titanium;hydrate?
The canonical SMILES for phosphane;titanium;hydrate is O.P.[Ti].
What is the InChIKey of phosphane;titanium;hydrate?
The InChIKey is DLBVRUPSVWYPJE-UHFFFAOYSA-N. The full InChI is InChI=1S/H2O.H3P.Ti/h1H2;1H3;.
What are the key properties of phosphane;titanium;hydrate?
phosphane;titanium;hydrate has a molecular weight of 99.88 g/mol, XLogP of -0.77, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for phosphane;titanium;hydrate is sourced from PubChem (CID 172796492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).