1-Methylsilacyclohexane

C6H13Si — CID 6329164

IUPAC—
SMILESC[Si]1CCCCC1
InChIInChI=1S/C6H13Si/c1-7-5-3-2-4-6-7/h2-6H2,1H3
InChIKeyQKDIBALFMZCURP-UHFFFAOYSA-N
MW113.26 g/mol
LogP2.29
Rot. Bonds

About 1-Methylsilacyclohexane

1-Methylsilacyclohexane (PubChem CID 6329164) has the molecular formula C6H13Si and a molecular weight of 113.26 g/mol.

Molecular Properties

Compound Name1-Methylsilacyclohexane
PubChem CID6329164
Molecular FormulaC6H13Si
Molecular Weight113.26 g/mol
Exact Mass113.08
IUPAC Name—
SMILESC[Si]1CCCCC1
InChIInChI=1S/C6H13Si/c1-7-5-3-2-4-6-7/h2-6H2,1H3
InChIKeyQKDIBALFMZCURP-UHFFFAOYSA-N
XLogP2.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.26
LogP ≤ 52.29
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-Methylsilacyclohexane?
The IUPAC name of 1-Methylsilacyclohexane (CID 6329164) is not available.
What is the SMILES notation for 1-Methylsilacyclohexane?
The canonical SMILES for 1-Methylsilacyclohexane is C[Si]1CCCCC1.
What is the InChIKey of 1-Methylsilacyclohexane?
The InChIKey is QKDIBALFMZCURP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13Si/c1-7-5-3-2-4-6-7/h2-6H2,1H3.
What are the key properties of 1-Methylsilacyclohexane?
1-Methylsilacyclohexane has a molecular weight of 113.26 g/mol, XLogP of 2.29, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-Methylsilacyclohexane is sourced from PubChem (CID 6329164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).