3-methyl-2,5-dihydro-1H-silole

C5H10Si — CID 566221

IUPAC3-methyl-2,5-dihydro-1H-silole
SMILESCC1=CC[SiH2]C1
InChIInChI=1S/C5H10Si/c1-5-2-3-6-4-5/h2H,3-4,6H2,1H3
InChIKeyAPDNEONMSHPHNE-UHFFFAOYSA-N
MW98.22 g/mol
LogP0.95
Rot. Bonds

About 3-methyl-2,5-dihydro-1H-silole

3-methyl-2,5-dihydro-1H-silole (PubChem CID 566221) has the molecular formula C5H10Si and a molecular weight of 98.22 g/mol. Its IUPAC name is 3-methyl-2,5-dihydro-1H-silole.

Molecular Properties

Compound Name3-methyl-2,5-dihydro-1H-silole
PubChem CID566221
Molecular FormulaC5H10Si
Molecular Weight98.22 g/mol
Exact Mass98.06
IUPAC Name3-methyl-2,5-dihydro-1H-silole
SMILESCC1=CC[SiH2]C1
InChIInChI=1S/C5H10Si/c1-5-2-3-6-4-5/h2H,3-4,6H2,1H3
InChIKeyAPDNEONMSHPHNE-UHFFFAOYSA-N
XLogP0.95
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 ≤ 50.95
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'}

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2,5-dihydro-1H-silole?
The IUPAC name of 3-methyl-2,5-dihydro-1H-silole (CID 566221) is 3-methyl-2,5-dihydro-1H-silole.
What is the SMILES notation for 3-methyl-2,5-dihydro-1H-silole?
The canonical SMILES for 3-methyl-2,5-dihydro-1H-silole is CC1=CC[SiH2]C1.
What is the InChIKey of 3-methyl-2,5-dihydro-1H-silole?
The InChIKey is APDNEONMSHPHNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10Si/c1-5-2-3-6-4-5/h2H,3-4,6H2,1H3.
What are the key properties of 3-methyl-2,5-dihydro-1H-silole?
3-methyl-2,5-dihydro-1H-silole has a molecular weight of 98.22 g/mol, XLogP of 0.95, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2,5-dihydro-1H-silole is sourced from PubChem (CID 566221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).