1,1-dideuterio-2H-siline

C5H8Si — CID 12557625

IUPAC1,1-dideuterio-2H-siline
SMILES[2H][Si]1([2H])C=CC=CC1
InChIInChI=1S/C5H8Si/c1-2-4-6-5-3-1/h1-4H,5-6H2/i6D2
InChIKeyJRYXDLRHBNNWPP-NCYHJHSESA-N
MW98.22 g/mol
LogP0.66
Rot. Bonds

About 1,1-dideuterio-2H-siline

1,1-dideuterio-2H-siline (PubChem CID 12557625) has the molecular formula C5H8Si and a molecular weight of 98.22 g/mol. Its IUPAC name is 1,1-dideuterio-2H-siline.

Molecular Properties

Compound Name1,1-dideuterio-2H-siline
PubChem CID12557625
Molecular FormulaC5H8Si
Molecular Weight98.22 g/mol
Exact Mass98.05
IUPAC Name1,1-dideuterio-2H-siline
SMILES[2H][Si]1([2H])C=CC=CC1
InChIInChI=1S/C5H8Si/c1-2-4-6-5-3-1/h1-4H,5-6H2/i6D2
InChIKeyJRYXDLRHBNNWPP-NCYHJHSESA-N
XLogP0.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.22
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1-dideuterio-2H-siline?
The IUPAC name of 1,1-dideuterio-2H-siline (CID 12557625) is 1,1-dideuterio-2H-siline.
What is the SMILES notation for 1,1-dideuterio-2H-siline?
The canonical SMILES for 1,1-dideuterio-2H-siline is [2H][Si]1([2H])C=CC=CC1.
What is the InChIKey of 1,1-dideuterio-2H-siline?
The InChIKey is JRYXDLRHBNNWPP-NCYHJHSESA-N. The full InChI is InChI=1S/C5H8Si/c1-2-4-6-5-3-1/h1-4H,5-6H2/i6D2.
What are the key properties of 1,1-dideuterio-2H-siline?
1,1-dideuterio-2H-siline has a molecular weight of 98.22 g/mol, XLogP of 0.66, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dideuterio-2H-siline is sourced from PubChem (CID 12557625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).