3-deuterioprop-1-ene;yttrium;hydrate

C3H7OY- — CID 58938216

IUPAC3-deuterioprop-1-ene;yttrium;hydrate
SMILESO.[2H]C[C-]=C.[Y]
InChIInChI=1S/C3H5.H2O.Y/c1-3-2;;/h1H2,2H3;1H2;/q-1;;/i2D;;
InChIKeyHFWFRHOFNNCSEY-AIIYCECHSA-N
MW149.00 g/mol
LogP0.17
Rot. Bonds1

About 3-deuterioprop-1-ene;yttrium;hydrate

3-deuterioprop-1-ene;yttrium;hydrate (PubChem CID 58938216) has the molecular formula C3H7OY- and a molecular weight of 149.00 g/mol. Its IUPAC name is 3-deuterioprop-1-ene;yttrium;hydrate.

Molecular Properties

Compound Name3-deuterioprop-1-ene;yttrium;hydrate
PubChem CID58938216
Molecular FormulaC3H7OY-
Molecular Weight149.00 g/mol
Exact Mass148.96
IUPAC Name3-deuterioprop-1-ene;yttrium;hydrate
SMILESO.[2H]C[C-]=C.[Y]
InChIInChI=1S/C3H5.H2O.Y/c1-3-2;;/h1H2,2H3;1H2;/q-1;;/i2D;;
InChIKeyHFWFRHOFNNCSEY-AIIYCECHSA-N
XLogP0.17
TPSA31.50 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.00
LogP ≤ 50.17
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 3-deuterioprop-1-ene;yttrium;hydrate?
The IUPAC name of 3-deuterioprop-1-ene;yttrium;hydrate (CID 58938216) is 3-deuterioprop-1-ene;yttrium;hydrate.
What is the SMILES notation for 3-deuterioprop-1-ene;yttrium;hydrate?
The canonical SMILES for 3-deuterioprop-1-ene;yttrium;hydrate is O.[2H]C[C-]=C.[Y].
What is the InChIKey of 3-deuterioprop-1-ene;yttrium;hydrate?
The InChIKey is HFWFRHOFNNCSEY-AIIYCECHSA-N. The full InChI is InChI=1S/C3H5.H2O.Y/c1-3-2;;/h1H2,2H3;1H2;/q-1;;/i2D;;.
What are the key properties of 3-deuterioprop-1-ene;yttrium;hydrate?
3-deuterioprop-1-ene;yttrium;hydrate has a molecular weight of 149.00 g/mol, XLogP of 0.17, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-deuterioprop-1-ene;yttrium;hydrate is sourced from PubChem (CID 58938216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).