3,3,3-trideuterioprop-1-ene

C3H6 — CID 15621136

IUPAC3,3,3-trideuterioprop-1-ene
SMILES[2H]C([2H])([2H])C=C
InChIInChI=1S/C3H6/c1-3-2/h3H,1H2,2H3/i2D3
InChIKeyQQONPFPTGQHPMA-BMSJAHLVSA-N
MW45.10 g/mol
LogP1.19
Rot. Bonds1

About 3,3,3-trideuterioprop-1-ene

3,3,3-trideuterioprop-1-ene (PubChem CID 15621136) has the molecular formula C3H6 and a molecular weight of 45.10 g/mol. Its IUPAC name is 3,3,3-trideuterioprop-1-ene.

Molecular Properties

Compound Name3,3,3-trideuterioprop-1-ene
PubChem CID15621136
Molecular FormulaC3H6
Molecular Weight45.10 g/mol
Exact Mass45.07
IUPAC Name3,3,3-trideuterioprop-1-ene
SMILES[2H]C([2H])([2H])C=C
InChIInChI=1S/C3H6/c1-3-2/h3H,1H2,2H3/i2D3
InChIKeyQQONPFPTGQHPMA-BMSJAHLVSA-N
XLogP1.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms3
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50045.10
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trideuterioprop-1-ene?
The IUPAC name of 3,3,3-trideuterioprop-1-ene (CID 15621136) is 3,3,3-trideuterioprop-1-ene.
What is the SMILES notation for 3,3,3-trideuterioprop-1-ene?
The canonical SMILES for 3,3,3-trideuterioprop-1-ene is [2H]C([2H])([2H])C=C.
What is the InChIKey of 3,3,3-trideuterioprop-1-ene?
The InChIKey is QQONPFPTGQHPMA-BMSJAHLVSA-N. The full InChI is InChI=1S/C3H6/c1-3-2/h3H,1H2,2H3/i2D3.
What are the key properties of 3,3,3-trideuterioprop-1-ene?
3,3,3-trideuterioprop-1-ene has a molecular weight of 45.10 g/mol, XLogP of 1.19, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trideuterioprop-1-ene is sourced from PubChem (CID 15621136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).