cycloheptyl-difluoro-(2-methylpentyl)silane

C13H26F2Si — CID 151948981

IUPACcycloheptyl-difluoro-(2-methylpentyl)silane
SMILESCCCC(C)C[Si](F)(F)C1CCCCCC1
InChIInChI=1S/C13H26F2Si/c1-3-8-12(2)11-16(14,15)13-9-6-4-5-7-10-13/h12-13H,3-11H2,1-2H3
InChIKeyTWGAHLXJQXNCKR-UHFFFAOYSA-N
MW248.43 g/mol
LogP5.53
Rot. Bonds5

About cycloheptyl-difluoro-(2-methylpentyl)silane

cycloheptyl-difluoro-(2-methylpentyl)silane (PubChem CID 151948981) has the molecular formula C13H26F2Si and a molecular weight of 248.43 g/mol. Its IUPAC name is cycloheptyl-difluoro-(2-methylpentyl)silane.

Molecular Properties

Compound Namecycloheptyl-difluoro-(2-methylpentyl)silane
PubChem CID151948981
Molecular FormulaC13H26F2Si
Molecular Weight248.43 g/mol
Exact Mass248.18
IUPAC Namecycloheptyl-difluoro-(2-methylpentyl)silane
SMILESCCCC(C)C[Si](F)(F)C1CCCCCC1
InChIInChI=1S/C13H26F2Si/c1-3-8-12(2)11-16(14,15)13-9-6-4-5-7-10-13/h12-13H,3-11H2,1-2H3
InChIKeyTWGAHLXJQXNCKR-UHFFFAOYSA-N
XLogP5.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500248.43
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cycloheptyl-difluoro-(2-methylpentyl)silane?
The IUPAC name of cycloheptyl-difluoro-(2-methylpentyl)silane (CID 151948981) is cycloheptyl-difluoro-(2-methylpentyl)silane.
What is the SMILES notation for cycloheptyl-difluoro-(2-methylpentyl)silane?
The canonical SMILES for cycloheptyl-difluoro-(2-methylpentyl)silane is CCCC(C)C[Si](F)(F)C1CCCCCC1.
What is the InChIKey of cycloheptyl-difluoro-(2-methylpentyl)silane?
The InChIKey is TWGAHLXJQXNCKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26F2Si/c1-3-8-12(2)11-16(14,15)13-9-6-4-5-7-10-13/h12-13H,3-11H2,1-2H3.
What are the key properties of cycloheptyl-difluoro-(2-methylpentyl)silane?
cycloheptyl-difluoro-(2-methylpentyl)silane has a molecular weight of 248.43 g/mol, XLogP of 5.53, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cycloheptyl-difluoro-(2-methylpentyl)silane is sourced from PubChem (CID 151948981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).