2-deuterioprop-1-ene;molecular hydrogen

C3H8 — CID 158289227

IUPAC2-deuterioprop-1-ene;molecular hydrogen
SMILES[2H]C(=C)C.[H][H]
InChIInChI=1S/C3H6.H2/c1-3-2;/h3H,1H2,2H3;1H/i3D;
InChIKeyGLDOUSMUILYLFC-RFQDWOGUSA-N
MW45.10 g/mol
LogP1.44
Rot. Bonds

About 2-deuterioprop-1-ene;molecular hydrogen

2-deuterioprop-1-ene;molecular hydrogen (PubChem CID 158289227) has the molecular formula C3H8 and a molecular weight of 45.10 g/mol. Its IUPAC name is 2-deuterioprop-1-ene;molecular hydrogen.

Molecular Properties

Compound Name2-deuterioprop-1-ene;molecular hydrogen
PubChem CID158289227
Molecular FormulaC3H8
Molecular Weight45.10 g/mol
Exact Mass45.07
IUPAC Name2-deuterioprop-1-ene;molecular hydrogen
SMILES[2H]C(=C)C.[H][H]
InChIInChI=1S/C3H6.H2/c1-3-2;/h3H,1H2,2H3;1H/i3D;
InChIKeyGLDOUSMUILYLFC-RFQDWOGUSA-N
XLogP1.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms3
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50045.10
LogP ≤ 51.44
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 2-deuterioprop-1-ene;molecular hydrogen?
The IUPAC name of 2-deuterioprop-1-ene;molecular hydrogen (CID 158289227) is 2-deuterioprop-1-ene;molecular hydrogen.
What is the SMILES notation for 2-deuterioprop-1-ene;molecular hydrogen?
The canonical SMILES for 2-deuterioprop-1-ene;molecular hydrogen is [2H]C(=C)C.[H][H].
What is the InChIKey of 2-deuterioprop-1-ene;molecular hydrogen?
The InChIKey is GLDOUSMUILYLFC-RFQDWOGUSA-N. The full InChI is InChI=1S/C3H6.H2/c1-3-2;/h3H,1H2,2H3;1H/i3D;.
What are the key properties of 2-deuterioprop-1-ene;molecular hydrogen?
2-deuterioprop-1-ene;molecular hydrogen has a molecular weight of 45.10 g/mol, XLogP of 1.44, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-deuterioprop-1-ene;molecular hydrogen is sourced from PubChem (CID 158289227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).