cycloheptylmethyl-(2-ethylhexyl)-dimethoxysilane

C18H38O2Si — CID 18412983

IUPACcycloheptylmethyl-(2-ethylhexyl)-dimethoxysilane
SMILESCCCCC(CC)C[Si](CC1CCCCCC1)(OC)OC
InChIInChI=1S/C18H38O2Si/c1-5-7-12-17(6-2)15-21(19-3,20-4)16-18-13-10-8-9-11-14-18/h17-18H,5-16H2,1-4H3
InChIKeyWRFAWFMETBHFSO-UHFFFAOYSA-N
MW314.59 g/mol
LogP5.91
Rot. Bonds10

About cycloheptylmethyl-(2-ethylhexyl)-dimethoxysilane

cycloheptylmethyl-(2-ethylhexyl)-dimethoxysilane (PubChem CID 18412983) has the molecular formula C18H38O2Si and a molecular weight of 314.59 g/mol. Its IUPAC name is cycloheptylmethyl-(2-ethylhexyl)-dimethoxysilane.

Molecular Properties

Compound Namecycloheptylmethyl-(2-ethylhexyl)-dimethoxysilane
PubChem CID18412983
Molecular FormulaC18H38O2Si
Molecular Weight314.59 g/mol
Exact Mass314.26
IUPAC Namecycloheptylmethyl-(2-ethylhexyl)-dimethoxysilane
SMILESCCCCC(CC)C[Si](CC1CCCCCC1)(OC)OC
InChIInChI=1S/C18H38O2Si/c1-5-7-12-17(6-2)15-21(19-3,20-4)16-18-13-10-8-9-11-14-18/h17-18H,5-16H2,1-4H3
InChIKeyWRFAWFMETBHFSO-UHFFFAOYSA-N
XLogP5.91
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.59
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze cycloheptylmethyl-(2-ethylhexyl)-dimethoxysilane 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-(2-ethylhexyl)-dimethoxysilane?
The IUPAC name of cycloheptylmethyl-(2-ethylhexyl)-dimethoxysilane (CID 18412983) is cycloheptylmethyl-(2-ethylhexyl)-dimethoxysilane.
What is the SMILES notation for cycloheptylmethyl-(2-ethylhexyl)-dimethoxysilane?
The canonical SMILES for cycloheptylmethyl-(2-ethylhexyl)-dimethoxysilane is CCCCC(CC)C[Si](CC1CCCCCC1)(OC)OC.
What is the InChIKey of cycloheptylmethyl-(2-ethylhexyl)-dimethoxysilane?
The InChIKey is WRFAWFMETBHFSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38O2Si/c1-5-7-12-17(6-2)15-21(19-3,20-4)16-18-13-10-8-9-11-14-18/h17-18H,5-16H2,1-4H3.
What are the key properties of cycloheptylmethyl-(2-ethylhexyl)-dimethoxysilane?
cycloheptylmethyl-(2-ethylhexyl)-dimethoxysilane has a molecular weight of 314.59 g/mol, XLogP of 5.91, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cycloheptylmethyl-(2-ethylhexyl)-dimethoxysilane is sourced from PubChem (CID 18412983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).