cycloheptylmethyl-cyclopentyl-diethoxysilane

C17H34O2Si — CID 18413015

IUPACcycloheptylmethyl-cyclopentyl-diethoxysilane
SMILESCCO[Si](CC1CCCCCC1)(OCC)C1CCCC1
InChIInChI=1S/C17H34O2Si/c1-3-18-20(19-4-2,17-13-9-10-14-17)15-16-11-7-5-6-8-12-16/h16-17H,3-15H2,1-2H3
InChIKeyZPYUMYQTGRZZAQ-UHFFFAOYSA-N
MW298.54 g/mol
LogP5.42
Rot. Bonds7

About cycloheptylmethyl-cyclopentyl-diethoxysilane

cycloheptylmethyl-cyclopentyl-diethoxysilane (PubChem CID 18413015) has the molecular formula C17H34O2Si and a molecular weight of 298.54 g/mol. Its IUPAC name is cycloheptylmethyl-cyclopentyl-diethoxysilane.

Molecular Properties

Compound Namecycloheptylmethyl-cyclopentyl-diethoxysilane
PubChem CID18413015
Molecular FormulaC17H34O2Si
Molecular Weight298.54 g/mol
Exact Mass298.23
IUPAC Namecycloheptylmethyl-cyclopentyl-diethoxysilane
SMILESCCO[Si](CC1CCCCCC1)(OCC)C1CCCC1
InChIInChI=1S/C17H34O2Si/c1-3-18-20(19-4-2,17-13-9-10-14-17)15-16-11-7-5-6-8-12-16/h16-17H,3-15H2,1-2H3
InChIKeyZPYUMYQTGRZZAQ-UHFFFAOYSA-N
XLogP5.42
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.54
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cycloheptylmethyl-cyclopentyl-diethoxysilane?
The IUPAC name of cycloheptylmethyl-cyclopentyl-diethoxysilane (CID 18413015) is cycloheptylmethyl-cyclopentyl-diethoxysilane.
What is the SMILES notation for cycloheptylmethyl-cyclopentyl-diethoxysilane?
The canonical SMILES for cycloheptylmethyl-cyclopentyl-diethoxysilane is CCO[Si](CC1CCCCCC1)(OCC)C1CCCC1.
What is the InChIKey of cycloheptylmethyl-cyclopentyl-diethoxysilane?
The InChIKey is ZPYUMYQTGRZZAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34O2Si/c1-3-18-20(19-4-2,17-13-9-10-14-17)15-16-11-7-5-6-8-12-16/h16-17H,3-15H2,1-2H3.
What are the key properties of cycloheptylmethyl-cyclopentyl-diethoxysilane?
cycloheptylmethyl-cyclopentyl-diethoxysilane has a molecular weight of 298.54 g/mol, XLogP of 5.42, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cycloheptylmethyl-cyclopentyl-diethoxysilane is sourced from PubChem (CID 18413015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).