1,1-dimethylsilepane

C8H18Si — CID 21335072

IUPAC1,1-dimethylsilepane
SMILESC[Si]1(C)CCCCCC1
InChIInChI=1S/C8H18Si/c1-9(2)7-5-3-4-6-8-9/h3-8H2,1-2H3
InChIKeyACCILMOFBCODON-UHFFFAOYSA-N
MW142.32 g/mol
LogP3.27
Rot. Bonds

About 1,1-dimethylsilepane

1,1-dimethylsilepane (PubChem CID 21335072) has the molecular formula C8H18Si and a molecular weight of 142.32 g/mol. Its IUPAC name is 1,1-dimethylsilepane.

Molecular Properties

Compound Name1,1-dimethylsilepane
PubChem CID21335072
Molecular FormulaC8H18Si
Molecular Weight142.32 g/mol
Exact Mass142.12
IUPAC Name1,1-dimethylsilepane
SMILESC[Si]1(C)CCCCCC1
InChIInChI=1S/C8H18Si/c1-9(2)7-5-3-4-6-8-9/h3-8H2,1-2H3
InChIKeyACCILMOFBCODON-UHFFFAOYSA-N
XLogP3.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.32
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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CID 18622259
1,6-dimethyl-1,6-disilabicyclo[4.4.4]tetradecane
CID 101130217
4,4-dimethyl-1,4-azasilepane
CID 54576757
1,1,2,2,5,5-hexamethyl-1,2,5-trisilepane
CID 102045191
cyclohexane dibromide
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Frequently Asked Questions

What is the IUPAC name of 1,1-dimethylsilepane?
The IUPAC name of 1,1-dimethylsilepane (CID 21335072) is 1,1-dimethylsilepane.
What is the SMILES notation for 1,1-dimethylsilepane?
The canonical SMILES for 1,1-dimethylsilepane is C[Si]1(C)CCCCCC1.
What is the InChIKey of 1,1-dimethylsilepane?
The InChIKey is ACCILMOFBCODON-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18Si/c1-9(2)7-5-3-4-6-8-9/h3-8H2,1-2H3.
What are the key properties of 1,1-dimethylsilepane?
1,1-dimethylsilepane has a molecular weight of 142.32 g/mol, XLogP of 3.27, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethylsilepane is sourced from PubChem (CID 21335072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).