1,1,3-trimethyl-2,5-dihydrosilole

C7H14Si — CID 574105

IUPAC1,1,3-trimethyl-2,5-dihydrosilole
SMILESCC1=CC[Si](C)(C)C1
InChIInChI=1S/C7H14Si/c1-7-4-5-8(2,3)6-7/h4H,5-6H2,1-3H3
InChIKeyJMEYPJTVYUGLDT-UHFFFAOYSA-N
MW126.27 g/mol
LogP2.65
Rot. Bonds

About 1,1,3-trimethyl-2,5-dihydrosilole

1,1,3-trimethyl-2,5-dihydrosilole (PubChem CID 574105) has the molecular formula C7H14Si and a molecular weight of 126.27 g/mol. Its IUPAC name is 1,1,3-trimethyl-2,5-dihydrosilole.

Molecular Properties

Compound Name1,1,3-trimethyl-2,5-dihydrosilole
PubChem CID574105
Molecular FormulaC7H14Si
Molecular Weight126.27 g/mol
Exact Mass126.09
IUPAC Name1,1,3-trimethyl-2,5-dihydrosilole
SMILESCC1=CC[Si](C)(C)C1
InChIInChI=1S/C7H14Si/c1-7-4-5-8(2,3)6-7/h4H,5-6H2,1-3H3
InChIKeyJMEYPJTVYUGLDT-UHFFFAOYSA-N
XLogP2.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.27
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1,1,3-trimethyl-2,5-dihydrosilole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,1,3-trimethyl-2,5-dihydrosilole?
The IUPAC name of 1,1,3-trimethyl-2,5-dihydrosilole (CID 574105) is 1,1,3-trimethyl-2,5-dihydrosilole.
What is the SMILES notation for 1,1,3-trimethyl-2,5-dihydrosilole?
The canonical SMILES for 1,1,3-trimethyl-2,5-dihydrosilole is CC1=CC[Si](C)(C)C1.
What is the InChIKey of 1,1,3-trimethyl-2,5-dihydrosilole?
The InChIKey is JMEYPJTVYUGLDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14Si/c1-7-4-5-8(2,3)6-7/h4H,5-6H2,1-3H3.
What are the key properties of 1,1,3-trimethyl-2,5-dihydrosilole?
1,1,3-trimethyl-2,5-dihydrosilole has a molecular weight of 126.27 g/mol, XLogP of 2.65, 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-2,5-dihydrosilole is sourced from PubChem (CID 574105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).