cycloheptylmethyl-cyclohexyl-diethoxysilane

C18H36O2Si — CID 18412973

IUPACcycloheptylmethyl-cyclohexyl-diethoxysilane
SMILESCCO[Si](CC1CCCCCC1)(OCC)C1CCCCC1
InChIInChI=1S/C18H36O2Si/c1-3-19-21(20-4-2,18-14-10-7-11-15-18)16-17-12-8-5-6-9-13-17/h17-18H,3-16H2,1-2H3
InChIKeyXPSMFHONJBDEQZ-UHFFFAOYSA-N
MW312.57 g/mol
LogP5.81
Rot. Bonds7

About cycloheptylmethyl-cyclohexyl-diethoxysilane

cycloheptylmethyl-cyclohexyl-diethoxysilane (PubChem CID 18412973) has the molecular formula C18H36O2Si and a molecular weight of 312.57 g/mol. Its IUPAC name is cycloheptylmethyl-cyclohexyl-diethoxysilane.

Molecular Properties

Compound Namecycloheptylmethyl-cyclohexyl-diethoxysilane
PubChem CID18412973
Molecular FormulaC18H36O2Si
Molecular Weight312.57 g/mol
Exact Mass312.25
IUPAC Namecycloheptylmethyl-cyclohexyl-diethoxysilane
SMILESCCO[Si](CC1CCCCCC1)(OCC)C1CCCCC1
InChIInChI=1S/C18H36O2Si/c1-3-19-21(20-4-2,18-14-10-7-11-15-18)16-17-12-8-5-6-9-13-17/h17-18H,3-16H2,1-2H3
InChIKeyXPSMFHONJBDEQZ-UHFFFAOYSA-N
XLogP5.81
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.57
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze cycloheptylmethyl-cyclohexyl-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 cycloheptylmethyl-cyclohexyl-diethoxysilane?
The IUPAC name of cycloheptylmethyl-cyclohexyl-diethoxysilane (CID 18412973) is cycloheptylmethyl-cyclohexyl-diethoxysilane.
What is the SMILES notation for cycloheptylmethyl-cyclohexyl-diethoxysilane?
The canonical SMILES for cycloheptylmethyl-cyclohexyl-diethoxysilane is CCO[Si](CC1CCCCCC1)(OCC)C1CCCCC1.
What is the InChIKey of cycloheptylmethyl-cyclohexyl-diethoxysilane?
The InChIKey is XPSMFHONJBDEQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36O2Si/c1-3-19-21(20-4-2,18-14-10-7-11-15-18)16-17-12-8-5-6-9-13-17/h17-18H,3-16H2,1-2H3.
What are the key properties of cycloheptylmethyl-cyclohexyl-diethoxysilane?
cycloheptylmethyl-cyclohexyl-diethoxysilane has a molecular weight of 312.57 g/mol, XLogP of 5.81, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cycloheptylmethyl-cyclohexyl-diethoxysilane is sourced from PubChem (CID 18412973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).