1,1,3-trimethyl-2H-silete

C6H12Si — CID 12842276

IUPAC1,1,3-trimethyl-2H-silete
SMILESCC1=C[Si](C)(C)C1
InChIInChI=1S/C6H12Si/c1-6-4-7(2,3)5-6/h4H,5H2,1-3H3
InChIKeyXVRJUZTVXLWZGK-UHFFFAOYSA-N
MW112.25 g/mol
LogP2.19
Rot. Bonds

About 1,1,3-trimethyl-2H-silete

1,1,3-trimethyl-2H-silete (PubChem CID 12842276) has the molecular formula C6H12Si and a molecular weight of 112.25 g/mol. Its IUPAC name is 1,1,3-trimethyl-2H-silete.

Molecular Properties

Compound Name1,1,3-trimethyl-2H-silete
PubChem CID12842276
Molecular FormulaC6H12Si
Molecular Weight112.25 g/mol
Exact Mass112.07
IUPAC Name1,1,3-trimethyl-2H-silete
SMILESCC1=C[Si](C)(C)C1
InChIInChI=1S/C6H12Si/c1-6-4-7(2,3)5-6/h4H,5H2,1-3H3
InChIKeyXVRJUZTVXLWZGK-UHFFFAOYSA-N
XLogP2.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.25
LogP ≤ 52.19
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 1,1,3-trimethyl-2H-silete?
The IUPAC name of 1,1,3-trimethyl-2H-silete (CID 12842276) is 1,1,3-trimethyl-2H-silete.
What is the SMILES notation for 1,1,3-trimethyl-2H-silete?
The canonical SMILES for 1,1,3-trimethyl-2H-silete is CC1=C[Si](C)(C)C1.
What is the InChIKey of 1,1,3-trimethyl-2H-silete?
The InChIKey is XVRJUZTVXLWZGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12Si/c1-6-4-7(2,3)5-6/h4H,5H2,1-3H3.
What are the key properties of 1,1,3-trimethyl-2H-silete?
1,1,3-trimethyl-2H-silete has a molecular weight of 112.25 g/mol, XLogP of 2.19, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3-trimethyl-2H-silete is sourced from PubChem (CID 12842276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).