butyl-(cycloheptylmethyl)-diethoxysilane

C16H34O2Si — CID 18412979

IUPACbutyl-(cycloheptylmethyl)-diethoxysilane
SMILESCCCC[Si](CC1CCCCCC1)(OCC)OCC
InChIInChI=1S/C16H34O2Si/c1-4-7-14-19(17-5-2,18-6-3)15-16-12-10-8-9-11-13-16/h16H,4-15H2,1-3H3
InChIKeyQJDCLRGPYVPJIF-UHFFFAOYSA-N
MW286.53 g/mol
LogP5.27
Rot. Bonds9

About butyl-(cycloheptylmethyl)-diethoxysilane

butyl-(cycloheptylmethyl)-diethoxysilane (PubChem CID 18412979) has the molecular formula C16H34O2Si and a molecular weight of 286.53 g/mol. Its IUPAC name is butyl-(cycloheptylmethyl)-diethoxysilane.

Molecular Properties

Compound Namebutyl-(cycloheptylmethyl)-diethoxysilane
PubChem CID18412979
Molecular FormulaC16H34O2Si
Molecular Weight286.53 g/mol
Exact Mass286.23
IUPAC Namebutyl-(cycloheptylmethyl)-diethoxysilane
SMILESCCCC[Si](CC1CCCCCC1)(OCC)OCC
InChIInChI=1S/C16H34O2Si/c1-4-7-14-19(17-5-2,18-6-3)15-16-12-10-8-9-11-13-16/h16H,4-15H2,1-3H3
InChIKeyQJDCLRGPYVPJIF-UHFFFAOYSA-N
XLogP5.27
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.53
LogP ≤ 55.27
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 butyl-(cycloheptylmethyl)-diethoxysilane?
The IUPAC name of butyl-(cycloheptylmethyl)-diethoxysilane (CID 18412979) is butyl-(cycloheptylmethyl)-diethoxysilane.
What is the SMILES notation for butyl-(cycloheptylmethyl)-diethoxysilane?
The canonical SMILES for butyl-(cycloheptylmethyl)-diethoxysilane is CCCC[Si](CC1CCCCCC1)(OCC)OCC.
What is the InChIKey of butyl-(cycloheptylmethyl)-diethoxysilane?
The InChIKey is QJDCLRGPYVPJIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34O2Si/c1-4-7-14-19(17-5-2,18-6-3)15-16-12-10-8-9-11-13-16/h16H,4-15H2,1-3H3.
What are the key properties of butyl-(cycloheptylmethyl)-diethoxysilane?
butyl-(cycloheptylmethyl)-diethoxysilane has a molecular weight of 286.53 g/mol, XLogP of 5.27, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butyl-(cycloheptylmethyl)-diethoxysilane is sourced from PubChem (CID 18412979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).