cyclobutyl-(cycloheptylmethyl)-diethoxysilane

C16H32O2Si — CID 18413005

IUPACcyclobutyl-(cycloheptylmethyl)-diethoxysilane
SMILESCCO[Si](CC1CCCCCC1)(OCC)C1CCC1
InChIInChI=1S/C16H32O2Si/c1-3-17-19(18-4-2,16-12-9-13-16)14-15-10-7-5-6-8-11-15/h15-16H,3-14H2,1-2H3
InChIKeyUPAHSBYIZPJXDP-UHFFFAOYSA-N
MW284.52 g/mol
LogP5.03
Rot. Bonds7

About cyclobutyl-(cycloheptylmethyl)-diethoxysilane

cyclobutyl-(cycloheptylmethyl)-diethoxysilane (PubChem CID 18413005) has the molecular formula C16H32O2Si and a molecular weight of 284.52 g/mol. Its IUPAC name is cyclobutyl-(cycloheptylmethyl)-diethoxysilane.

Molecular Properties

Compound Namecyclobutyl-(cycloheptylmethyl)-diethoxysilane
PubChem CID18413005
Molecular FormulaC16H32O2Si
Molecular Weight284.52 g/mol
Exact Mass284.22
IUPAC Namecyclobutyl-(cycloheptylmethyl)-diethoxysilane
SMILESCCO[Si](CC1CCCCCC1)(OCC)C1CCC1
InChIInChI=1S/C16H32O2Si/c1-3-17-19(18-4-2,16-12-9-13-16)14-15-10-7-5-6-8-11-15/h15-16H,3-14H2,1-2H3
InChIKeyUPAHSBYIZPJXDP-UHFFFAOYSA-N
XLogP5.03
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.52
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze cyclobutyl-(cycloheptylmethyl)-diethoxysilane 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 cyclobutyl-(cycloheptylmethyl)-diethoxysilane?
The IUPAC name of cyclobutyl-(cycloheptylmethyl)-diethoxysilane (CID 18413005) is cyclobutyl-(cycloheptylmethyl)-diethoxysilane.
What is the SMILES notation for cyclobutyl-(cycloheptylmethyl)-diethoxysilane?
The canonical SMILES for cyclobutyl-(cycloheptylmethyl)-diethoxysilane is CCO[Si](CC1CCCCCC1)(OCC)C1CCC1.
What is the InChIKey of cyclobutyl-(cycloheptylmethyl)-diethoxysilane?
The InChIKey is UPAHSBYIZPJXDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O2Si/c1-3-17-19(18-4-2,16-12-9-13-16)14-15-10-7-5-6-8-11-15/h15-16H,3-14H2,1-2H3.
What are the key properties of cyclobutyl-(cycloheptylmethyl)-diethoxysilane?
cyclobutyl-(cycloheptylmethyl)-diethoxysilane has a molecular weight of 284.52 g/mol, XLogP of 5.03, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-(cycloheptylmethyl)-diethoxysilane is sourced from PubChem (CID 18413005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).