ethyl-[(Z)-prop-1-enyl]phosphinic acid;titanium

C5H11O2PTi — CID 87383793

IUPACethyl-[(Z)-prop-1-enyl]phosphinic acid;titanium
SMILESC/C=C\P(=O)(O)CC.[Ti]
InChIInChI=1S/C5H11O2P.Ti/c1-3-5-8(6,7)4-2;/h3,5H,4H2,1-2H3,(H,6,7);/b5-3-;
InChIKeyJYERJCDLLLYAEY-FBZPGIPVSA-N
MW181.98 g/mol
LogP1.81
Rot. Bonds2

About ethyl-[(Z)-prop-1-enyl]phosphinic acid;titanium

ethyl-[(Z)-prop-1-enyl]phosphinic acid;titanium (PubChem CID 87383793) has the molecular formula C5H11O2PTi and a molecular weight of 181.98 g/mol. Its IUPAC name is ethyl-[(Z)-prop-1-enyl]phosphinic acid;titanium.

Molecular Properties

Compound Nameethyl-[(Z)-prop-1-enyl]phosphinic acid;titanium
PubChem CID87383793
Molecular FormulaC5H11O2PTi
Molecular Weight181.98 g/mol
Exact Mass182.00
IUPAC Nameethyl-[(Z)-prop-1-enyl]phosphinic acid;titanium
SMILESC/C=C\P(=O)(O)CC.[Ti]
InChIInChI=1S/C5H11O2P.Ti/c1-3-5-8(6,7)4-2;/h3,5H,4H2,1-2H3,(H,6,7);/b5-3-;
InChIKeyJYERJCDLLLYAEY-FBZPGIPVSA-N
XLogP1.81
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.98
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze ethyl-[(Z)-prop-1-enyl]phosphinic acid;titanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl-[(Z)-prop-1-enyl]phosphinic acid;titanium?
The IUPAC name of ethyl-[(Z)-prop-1-enyl]phosphinic acid;titanium (CID 87383793) is ethyl-[(Z)-prop-1-enyl]phosphinic acid;titanium.
What is the SMILES notation for ethyl-[(Z)-prop-1-enyl]phosphinic acid;titanium?
The canonical SMILES for ethyl-[(Z)-prop-1-enyl]phosphinic acid;titanium is C/C=C\P(=O)(O)CC.[Ti].
What is the InChIKey of ethyl-[(Z)-prop-1-enyl]phosphinic acid;titanium?
The InChIKey is JYERJCDLLLYAEY-FBZPGIPVSA-N. The full InChI is InChI=1S/C5H11O2P.Ti/c1-3-5-8(6,7)4-2;/h3,5H,4H2,1-2H3,(H,6,7);/b5-3-;.
What are the key properties of ethyl-[(Z)-prop-1-enyl]phosphinic acid;titanium?
ethyl-[(Z)-prop-1-enyl]phosphinic acid;titanium has a molecular weight of 181.98 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-[(Z)-prop-1-enyl]phosphinic acid;titanium is sourced from PubChem (CID 87383793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).